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/3_mut-2b2685bd/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-2b2685bd/inputs/seq.fa: 3 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU_ curr_seq: _GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG_ curr_seq: _AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG_ chainIds_rna: _ABC_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU chainId: B, chainSeq: GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG chainId: C, chainSeq: AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG 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 47 nucleotides chain B contains 84 nucleotides chain C contains 111 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: 1225 n_atoms_counter: 1225 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 242.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/3_mut-2b2685bd/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-2b2685bd/inputs/seq.fa: 3 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU_ curr_seq: _GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG_ curr_seq: _AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG_ chainIds_rna: _ABC_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU chainId: B, chainSeq: GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG chainId: C, chainSeq: AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG 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 47 nucleotides chain B contains 84 nucleotides chain C contains 111 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: 1225 n_atoms_counter: 1225 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 242.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/3_mut-2b2685bd/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-2b2685bd/inputs/seq.fa: 3 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU_ curr_seq: _GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG_ curr_seq: _AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG_ chainIds_rna: _ABC_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU chainId: B, chainSeq: GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG chainId: C, chainSeq: AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG 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 47 nucleotides chain B contains 84 nucleotides chain C contains 111 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: 1225 n_atoms_counter: 1225 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 242.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/3_mut-2b2685bd/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-2b2685bd/inputs/seq.fa: 3 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU_ curr_seq: _GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG_ curr_seq: _AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG_ chainIds_rna: _ABC_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU chainId: B, chainSeq: GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG chainId: C, chainSeq: AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG 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 47 nucleotides chain B contains 84 nucleotides chain C contains 111 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: 1225 n_atoms_counter: 1225 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 242.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/3_mut-2b2685bd/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-2b2685bd/inputs/seq.fa: 3 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU_ curr_seq: _GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG_ curr_seq: _AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG_ chainIds_rna: _ABC_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU chainId: B, chainSeq: GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG chainId: C, chainSeq: AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG 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 47 nucleotides chain B contains 84 nucleotides chain C contains 111 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: 1225 n_atoms_counter: 1225 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 242.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/3_mut-2b2685bd/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-2b2685bd/inputs/seq.fa: 3 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU_ curr_seq: _GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG_ curr_seq: _AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG_ chainIds_rna: _ABC_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU chainId: B, chainSeq: GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG chainId: C, chainSeq: AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG 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 47 nucleotides chain B contains 84 nucleotides chain C contains 111 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: 1225 n_atoms_counter: 1225 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 242.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/3_mut-2b2685bd/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-2b2685bd/inputs/seq.fa: 3 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU_ curr_seq: _GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG_ curr_seq: _AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG_ chainIds_rna: _ABC_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU chainId: B, chainSeq: GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG chainId: C, chainSeq: AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG 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 47 nucleotides chain B contains 84 nucleotides chain C contains 111 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: 1225 n_atoms_counter: 1225 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 242.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/3_mut-2b2685bd/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-2b2685bd/inputs/seq.fa: 3 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU_ curr_seq: _GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG_ curr_seq: _AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG_ chainIds_rna: _ABC_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU chainId: B, chainSeq: GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG chainId: C, chainSeq: AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG 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 47 nucleotides chain B contains 84 nucleotides chain C contains 111 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: 1225 n_atoms_counter: 1225 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 242.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/3_mut-2b2685bd/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-2b2685bd/inputs/seq.fa: 3 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU_ curr_seq: _GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG_ curr_seq: _AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG_ chainIds_rna: _ABC_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU chainId: B, chainSeq: GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG chainId: C, chainSeq: AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG 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 47 nucleotides chain B contains 84 nucleotides chain C contains 111 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: 1225 n_atoms_counter: 1225 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 242.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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/3_mut-2b2685bd/inputs/seq.fa first_line: R R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/3_mut-2b2685bd/inputs/seq.fa: 3 curr_seq: _AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU_ curr_seq: _GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG_ curr_seq: _AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG_ chainIds_rna: _ABC_, chainIds_protein: __ chainId: A, chainSeq: AUUUGGAUGACAGAAACACUUUUCGACAUAGUGUGGUGGUGCCCUGU chainId: B, chainSeq: GAGCCGCCUGAGGUUGGCUCUGACUGUACCACCAUCCACUACAACUACAUGUGUAACAGUUCCUGCAUGGGCGGCAUGAACCAG chainId: C, chainSeq: AGGCCCAUCCUCACCAUCAUCACACUGGAAGACUCCAGUGGUAAUCUACUGGGACGGAACAGCUUUGAGGUGCGUGUUUGUGCCUGUCCUGGGAGAGACCAGCGCACAGAG 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 47 nucleotides chain B contains 84 nucleotides chain C contains 111 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: 1225 n_atoms_counter: 1225 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 242.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 242.000000 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: -980.743876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.743876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.743876 (E_RNA) where: Base-Base interactions energy: -38.025 where: short stacking energy: -38.025 Base-Backbone interact. energy: -0.000 local terms energy: -942.718376 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -219.190 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -107.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -980.743876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.743876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.743876 (E_RNA) where: Base-Base interactions energy: -38.025 where: short stacking energy: -38.025 Base-Backbone interact. energy: -0.000 local terms energy: -942.718376 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -219.190 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -107.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -980.743876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.743876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.743876 (E_RNA) where: Base-Base interactions energy: -38.025 where: short stacking energy: -38.025 Base-Backbone interact. energy: -0.000 local terms energy: -942.718376 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -219.190 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -107.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -980.743876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.743876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.743876 (E_RNA) where: Base-Base interactions energy: -38.025 where: short stacking energy: -38.025 Base-Backbone interact. energy: -0.000 local terms energy: -942.718376 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -219.190 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -107.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -980.743876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.743876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.743876 (E_RNA) where: Base-Base interactions energy: -38.025 where: short stacking energy: -38.025 Base-Backbone interact. energy: -0.000 local terms energy: -942.718376 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -219.190 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -107.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -980.743876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.743876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.743876 (E_RNA) where: Base-Base interactions energy: -38.025 where: short stacking energy: -38.025 Base-Backbone interact. energy: -0.000 local terms energy: -942.718376 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -219.190 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -107.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -980.743876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.743876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.743876 (E_RNA) where: Base-Base interactions energy: -38.025 where: short stacking energy: -38.025 Base-Backbone interact. energy: -0.000 local terms energy: -942.718376 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -219.190 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -107.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -980.743876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.743876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.743876 (E_RNA) where: Base-Base interactions energy: -38.025 where: short stacking energy: -38.025 Base-Backbone interact. energy: -0.000 local terms energy: -942.718376 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -219.190 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -107.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -980.743876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.743876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.743876 (E_RNA) where: Base-Base interactions energy: -38.025 where: short stacking energy: -38.025 Base-Backbone interact. energy: -0.000 local terms energy: -942.718376 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -219.190 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -107.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -980.743876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.743876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.743876 (E_RNA) where: Base-Base interactions energy: -38.025 where: short stacking energy: -38.025 Base-Backbone interact. energy: -0.000 local terms energy: -942.718376 where: bonds (distance) C4'-P energy: -235.122 bonds (distance) P-C4' energy: -219.190 flat angles C4'-P-C4' energy: -177.682 flat angles P-C4'-P energy: -203.250 tors. eta vs tors. theta energy: -107.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1205.878936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.878936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.878936 (E_RNA) where: Base-Base interactions energy: -517.650 where: short stacking energy: -517.650 Base-Backbone interact. energy: -0.126 local terms energy: -688.102973 where: bonds (distance) C4'-P energy: -146.765 bonds (distance) P-C4' energy: -161.661 flat angles C4'-P-C4' energy: -145.372 flat angles P-C4'-P energy: -107.038 tors. eta vs tors. theta energy: -127.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1113.314354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.314354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.314354 (E_RNA) where: Base-Base interactions energy: -458.748 where: short stacking energy: -448.752 Base-Backbone interact. energy: 2.035 local terms energy: -656.601767 where: bonds (distance) C4'-P energy: -141.840 bonds (distance) P-C4' energy: -154.665 flat angles C4'-P-C4' energy: -148.315 flat angles P-C4'-P energy: -102.683 tors. eta vs tors. theta energy: -109.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1065.821551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.821551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.821551 (E_RNA) where: Base-Base interactions energy: -429.871 where: short stacking energy: -410.765 Base-Backbone interact. energy: 0.075 local terms energy: -636.025439 where: bonds (distance) C4'-P energy: -153.574 bonds (distance) P-C4' energy: -143.185 flat angles C4'-P-C4' energy: -160.649 flat angles P-C4'-P energy: -80.524 tors. eta vs tors. theta energy: -98.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -983.035086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.035086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.035086 (E_RNA) where: Base-Base interactions energy: -42.115 where: short stacking energy: -42.115 Base-Backbone interact. energy: -0.000 local terms energy: -940.919668 where: bonds (distance) C4'-P energy: -233.288 bonds (distance) P-C4' energy: -218.218 flat angles C4'-P-C4' energy: -177.960 flat angles P-C4'-P energy: -202.888 tors. eta vs tors. theta energy: -108.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -988.380533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.380533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.380533 (E_RNA) where: Base-Base interactions energy: -175.962 where: short stacking energy: -175.962 Base-Backbone interact. energy: -0.000 local terms energy: -812.417601 where: bonds (distance) C4'-P energy: -174.485 bonds (distance) P-C4' energy: -158.003 flat angles C4'-P-C4' energy: -176.211 flat angles P-C4'-P energy: -183.264 tors. eta vs tors. theta energy: -120.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -982.172046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.172046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.172046 (E_RNA) where: Base-Base interactions energy: -41.961 where: short stacking energy: -41.961 Base-Backbone interact. energy: -0.000 local terms energy: -940.210626 where: bonds (distance) C4'-P energy: -232.932 bonds (distance) P-C4' energy: -218.218 flat angles C4'-P-C4' energy: -177.960 flat angles P-C4'-P energy: -202.755 tors. eta vs tors. theta energy: -108.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -981.505097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.505097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.505097 (E_RNA) where: Base-Base interactions energy: -41.958 where: short stacking energy: -41.958 Base-Backbone interact. energy: -0.000 local terms energy: -939.547195 where: bonds (distance) C4'-P energy: -232.932 bonds (distance) P-C4' energy: -217.961 flat angles C4'-P-C4' energy: -177.706 flat angles P-C4'-P energy: -202.707 tors. eta vs tors. theta energy: -108.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -979.950720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.950720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.950720 (E_RNA) where: Base-Base interactions energy: -42.965 where: short stacking energy: -42.965 Base-Backbone interact. energy: -0.000 local terms energy: -936.985327 where: bonds (distance) C4'-P energy: -232.460 bonds (distance) P-C4' energy: -215.935 flat angles C4'-P-C4' energy: -177.776 flat angles P-C4'-P energy: -202.331 tors. eta vs tors. theta energy: -108.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -981.371325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.371325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.371325 (E_RNA) where: Base-Base interactions energy: -45.549 where: short stacking energy: -45.549 Base-Backbone interact. energy: -0.000 local terms energy: -935.821907 where: bonds (distance) C4'-P energy: -231.223 bonds (distance) P-C4' energy: -215.960 flat angles C4'-P-C4' energy: -177.974 flat angles P-C4'-P energy: -201.671 tors. eta vs tors. theta energy: -108.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -979.613040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.613040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.613040 (E_RNA) where: Base-Base interactions energy: -63.597 where: short stacking energy: -63.597 Base-Backbone interact. energy: -0.000 local terms energy: -916.015542 where: bonds (distance) C4'-P energy: -222.995 bonds (distance) P-C4' energy: -204.700 flat angles C4'-P-C4' energy: -176.886 flat angles P-C4'-P energy: -198.873 tors. eta vs tors. theta energy: -112.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1210.477459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.477459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.477459 (E_RNA) where: Base-Base interactions energy: -507.738 where: short stacking energy: -501.653 Base-Backbone interact. energy: -1.575 local terms energy: -701.165004 where: bonds (distance) C4'-P energy: -152.622 bonds (distance) P-C4' energy: -166.132 flat angles C4'-P-C4' energy: -156.132 flat angles P-C4'-P energy: -103.710 tors. eta vs tors. theta energy: -122.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1113.414971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.414971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.414971 (E_RNA) where: Base-Base interactions energy: -472.242 where: short stacking energy: -459.447 Base-Backbone interact. energy: -0.499 local terms energy: -640.673591 where: bonds (distance) C4'-P energy: -154.265 bonds (distance) P-C4' energy: -146.376 flat angles C4'-P-C4' energy: -156.035 flat angles P-C4'-P energy: -79.904 tors. eta vs tors. theta energy: -104.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1079.081210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.081210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.081210 (E_RNA) where: Base-Base interactions energy: -428.619 where: short stacking energy: -422.604 Base-Backbone interact. energy: -0.523 local terms energy: -649.938523 where: bonds (distance) C4'-P energy: -145.926 bonds (distance) P-C4' energy: -144.981 flat angles C4'-P-C4' energy: -133.676 flat angles P-C4'-P energy: -96.683 tors. eta vs tors. theta energy: -128.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -952.251757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.251757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.251757 (E_RNA) where: Base-Base interactions energy: -357.962 where: short stacking energy: -341.245 Base-Backbone interact. energy: -0.491 local terms energy: -593.799546 where: bonds (distance) C4'-P energy: -145.495 bonds (distance) P-C4' energy: -155.491 flat angles C4'-P-C4' energy: -134.800 flat angles P-C4'-P energy: -97.975 tors. eta vs tors. theta energy: -60.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -900.919605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.919605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.919605 (E_RNA) where: Base-Base interactions energy: -350.177 where: short stacking energy: -327.905 Base-Backbone interact. energy: -1.849 local terms energy: -548.894306 where: bonds (distance) C4'-P energy: -137.388 bonds (distance) P-C4' energy: -142.735 flat angles C4'-P-C4' energy: -141.832 flat angles P-C4'-P energy: -81.014 tors. eta vs tors. theta energy: -45.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -802.312420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.312420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.312420 (E_RNA) where: Base-Base interactions energy: -292.950 where: short stacking energy: -287.448 Base-Backbone interact. energy: -0.804 local terms energy: -508.557843 where: bonds (distance) C4'-P energy: -133.909 bonds (distance) P-C4' energy: -132.350 flat angles C4'-P-C4' energy: -117.982 flat angles P-C4'-P energy: -74.564 tors. eta vs tors. theta energy: -49.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -769.643617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.643617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.643617 (E_RNA) where: Base-Base interactions energy: -260.246 where: short stacking energy: -245.273 Base-Backbone interact. energy: 0.936 local terms energy: -510.332652 where: bonds (distance) C4'-P energy: -137.491 bonds (distance) P-C4' energy: -142.838 flat angles C4'-P-C4' energy: -125.325 flat angles P-C4'-P energy: -79.352 tors. eta vs tors. theta energy: -25.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -695.457441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.457441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.457441 (E_RNA) where: Base-Base interactions energy: -244.667 where: short stacking energy: -231.648 Base-Backbone interact. energy: -0.914 local terms energy: -449.876771 where: bonds (distance) C4'-P energy: -119.567 bonds (distance) P-C4' energy: -116.938 flat angles C4'-P-C4' energy: -126.564 flat angles P-C4'-P energy: -51.897 tors. eta vs tors. theta energy: -34.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -628.805976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.805976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.805976 (E_RNA) where: Base-Base interactions energy: -210.008 where: short stacking energy: -204.948 Base-Backbone interact. energy: 0.060 local terms energy: -418.857885 where: bonds (distance) C4'-P energy: -124.246 bonds (distance) P-C4' energy: -124.521 flat angles C4'-P-C4' energy: -104.346 flat angles P-C4'-P energy: -64.546 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -602.944473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.944473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.944473 (E_RNA) where: Base-Base interactions energy: -181.826 where: short stacking energy: -171.633 Base-Backbone interact. energy: 0.500 local terms energy: -421.618505 where: bonds (distance) C4'-P energy: -127.631 bonds (distance) P-C4' energy: -138.495 flat angles C4'-P-C4' energy: -100.980 flat angles P-C4'-P energy: -54.210 tors. eta vs tors. theta energy: -0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1220.813062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.813062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.813062 (E_RNA) where: Base-Base interactions energy: -535.992 where: short stacking energy: -518.026 Base-Backbone interact. energy: -0.668 local terms energy: -684.153104 where: bonds (distance) C4'-P energy: -160.800 bonds (distance) P-C4' energy: -150.320 flat angles C4'-P-C4' energy: -153.510 flat angles P-C4'-P energy: -98.675 tors. eta vs tors. theta energy: -120.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1121.927998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.927998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.927998 (E_RNA) where: Base-Base interactions energy: -462.429 where: short stacking energy: -458.163 Base-Backbone interact. energy: -0.027 local terms energy: -659.471872 where: bonds (distance) C4'-P energy: -149.821 bonds (distance) P-C4' energy: -151.805 flat angles C4'-P-C4' energy: -151.611 flat angles P-C4'-P energy: -103.145 tors. eta vs tors. theta energy: -103.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1092.002020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.002020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.002020 (E_RNA) where: Base-Base interactions energy: -445.905 where: short stacking energy: -430.709 Base-Backbone interact. energy: 0.038 local terms energy: -646.445944 where: bonds (distance) C4'-P energy: -146.884 bonds (distance) P-C4' energy: -154.964 flat angles C4'-P-C4' energy: -145.093 flat angles P-C4'-P energy: -89.805 tors. eta vs tors. theta energy: -109.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.311 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1007.791498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.791498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.791498 (E_RNA) where: Base-Base interactions energy: -409.921 where: short stacking energy: -401.102 Base-Backbone interact. energy: 2.802 local terms energy: -600.673257 where: bonds (distance) C4'-P energy: -137.159 bonds (distance) P-C4' energy: -148.236 flat angles C4'-P-C4' energy: -133.326 flat angles P-C4'-P energy: -101.181 tors. eta vs tors. theta energy: -80.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -875.697620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.697620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.697620 (E_RNA) where: Base-Base interactions energy: -348.604 where: short stacking energy: -326.116 Base-Backbone interact. energy: -0.247 local terms energy: -526.846418 where: bonds (distance) C4'-P energy: -143.891 bonds (distance) P-C4' energy: -140.441 flat angles C4'-P-C4' energy: -120.292 flat angles P-C4'-P energy: -61.758 tors. eta vs tors. theta energy: -60.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -834.000058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.000058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.000058 (E_RNA) where: Base-Base interactions energy: -313.206 where: short stacking energy: -305.496 Base-Backbone interact. energy: 0.249 local terms energy: -521.042973 where: bonds (distance) C4'-P energy: -123.965 bonds (distance) P-C4' energy: -144.046 flat angles C4'-P-C4' energy: -127.999 flat angles P-C4'-P energy: -78.978 tors. eta vs tors. theta energy: -46.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -764.106172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.106172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.106172 (E_RNA) where: Base-Base interactions energy: -286.995 where: short stacking energy: -271.064 Base-Backbone interact. energy: 2.793 local terms energy: -479.904594 where: bonds (distance) C4'-P energy: -137.437 bonds (distance) P-C4' energy: -129.197 flat angles C4'-P-C4' energy: -130.346 flat angles P-C4'-P energy: -55.355 tors. eta vs tors. theta energy: -27.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -704.041981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.041981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.041981 (E_RNA) where: Base-Base interactions energy: -252.976 where: short stacking energy: -247.422 Base-Backbone interact. energy: -0.320 local terms energy: -450.745981 where: bonds (distance) C4'-P energy: -125.943 bonds (distance) P-C4' energy: -129.836 flat angles C4'-P-C4' energy: -122.251 flat angles P-C4'-P energy: -63.027 tors. eta vs tors. theta energy: -9.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -625.759592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.759592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.759592 (E_RNA) where: Base-Base interactions energy: -243.390 where: short stacking energy: -237.577 Base-Backbone interact. energy: 5.856 local terms energy: -388.225771 where: bonds (distance) C4'-P energy: -100.777 bonds (distance) P-C4' energy: -119.010 flat angles C4'-P-C4' energy: -109.060 flat angles P-C4'-P energy: -48.880 tors. eta vs tors. theta energy: -10.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -580.658542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.658542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.658542 (E_RNA) where: Base-Base interactions energy: -188.115 where: short stacking energy: -168.409 Base-Backbone interact. energy: 1.950 local terms energy: -394.493212 where: bonds (distance) C4'-P energy: -119.210 bonds (distance) P-C4' energy: -130.052 flat angles C4'-P-C4' energy: -82.029 flat angles P-C4'-P energy: -66.421 tors. eta vs tors. theta energy: 3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1244.193548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.193548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.193548 (E_RNA) where: Base-Base interactions energy: -542.099 where: short stacking energy: -533.027 Base-Backbone interact. energy: -0.427 local terms energy: -701.667294 where: bonds (distance) C4'-P energy: -148.473 bonds (distance) P-C4' energy: -170.159 flat angles C4'-P-C4' energy: -141.497 flat angles P-C4'-P energy: -101.370 tors. eta vs tors. theta energy: -140.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1176.869482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.869482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.869482 (E_RNA) where: Base-Base interactions energy: -527.960 where: short stacking energy: -490.157 Base-Backbone interact. energy: -1.816 local terms energy: -647.388125 where: bonds (distance) C4'-P energy: -138.998 bonds (distance) P-C4' energy: -154.895 flat angles C4'-P-C4' energy: -148.049 flat angles P-C4'-P energy: -96.350 tors. eta vs tors. theta energy: -109.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.295 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1084.592636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.592636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.592636 (E_RNA) where: Base-Base interactions energy: -460.524 where: short stacking energy: -433.575 Base-Backbone interact. energy: 1.072 local terms energy: -625.139962 where: bonds (distance) C4'-P energy: -153.688 bonds (distance) P-C4' energy: -161.925 flat angles C4'-P-C4' energy: -137.386 flat angles P-C4'-P energy: -79.351 tors. eta vs tors. theta energy: -92.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -972.865868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.865868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.865868 (E_RNA) where: Base-Base interactions energy: -394.755 where: short stacking energy: -355.727 Base-Backbone interact. energy: 0.549 local terms energy: -578.660326 where: bonds (distance) C4'-P energy: -152.535 bonds (distance) P-C4' energy: -144.367 flat angles C4'-P-C4' energy: -142.209 flat angles P-C4'-P energy: -83.366 tors. eta vs tors. theta energy: -56.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -862.016406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.016406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.016406 (E_RNA) where: Base-Base interactions energy: -332.880 where: short stacking energy: -301.761 Base-Backbone interact. energy: -1.096 local terms energy: -528.040499 where: bonds (distance) C4'-P energy: -132.547 bonds (distance) P-C4' energy: -135.349 flat angles C4'-P-C4' energy: -131.546 flat angles P-C4'-P energy: -81.024 tors. eta vs tors. theta energy: -47.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -776.459127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.459127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.459127 (E_RNA) where: Base-Base interactions energy: -281.921 where: short stacking energy: -281.052 Base-Backbone interact. energy: 0.329 local terms energy: -494.866879 where: bonds (distance) C4'-P energy: -148.879 bonds (distance) P-C4' energy: -126.710 flat angles C4'-P-C4' energy: -118.670 flat angles P-C4'-P energy: -84.412 tors. eta vs tors. theta energy: -16.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -735.808379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.808379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.808379 (E_RNA) where: Base-Base interactions energy: -276.870 where: short stacking energy: -265.800 Base-Backbone interact. energy: 0.855 local terms energy: -459.793052 where: bonds (distance) C4'-P energy: -118.855 bonds (distance) P-C4' energy: -147.609 flat angles C4'-P-C4' energy: -108.486 flat angles P-C4'-P energy: -45.316 tors. eta vs tors. theta energy: -39.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -696.833039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.833039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.833039 (E_RNA) where: Base-Base interactions energy: -249.797 where: short stacking energy: -234.054 Base-Backbone interact. energy: 2.734 local terms energy: -449.769505 where: bonds (distance) C4'-P energy: -110.002 bonds (distance) P-C4' energy: -142.489 flat angles C4'-P-C4' energy: -125.131 flat angles P-C4'-P energy: -52.737 tors. eta vs tors. theta energy: -19.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -642.854971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.854971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.854971 (E_RNA) where: Base-Base interactions energy: -215.069 where: short stacking energy: -186.304 Base-Backbone interact. energy: -0.474 local terms energy: -427.311810 where: bonds (distance) C4'-P energy: -124.078 bonds (distance) P-C4' energy: -128.527 flat angles C4'-P-C4' energy: -115.076 flat angles P-C4'-P energy: -48.650 tors. eta vs tors. theta energy: -10.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -576.446612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.446612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.446612 (E_RNA) where: Base-Base interactions energy: -204.478 where: short stacking energy: -193.297 Base-Backbone interact. energy: -1.501 local terms energy: -370.467372 where: bonds (distance) C4'-P energy: -112.491 bonds (distance) P-C4' energy: -124.555 flat angles C4'-P-C4' energy: -99.783 flat angles P-C4'-P energy: -50.632 tors. eta vs tors. theta energy: 16.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1252.306377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.306377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.306377 (E_RNA) where: Base-Base interactions energy: -544.455 where: short stacking energy: -532.702 Base-Backbone interact. energy: 0.168 local terms energy: -708.019282 where: bonds (distance) C4'-P energy: -150.247 bonds (distance) P-C4' energy: -163.099 flat angles C4'-P-C4' energy: -153.499 flat angles P-C4'-P energy: -103.358 tors. eta vs tors. theta energy: -137.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1173.844440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.844440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.844440 (E_RNA) where: Base-Base interactions energy: -519.099 where: short stacking energy: -450.164 Base-Backbone interact. energy: -1.531 local terms energy: -653.400282 where: bonds (distance) C4'-P energy: -161.386 bonds (distance) P-C4' energy: -159.284 flat angles C4'-P-C4' energy: -143.006 flat angles P-C4'-P energy: -95.275 tors. eta vs tors. theta energy: -94.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.186 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1076.342097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.342097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.342097 (E_RNA) where: Base-Base interactions energy: -447.870 where: short stacking energy: -410.034 Base-Backbone interact. energy: -1.962 local terms energy: -626.510265 where: bonds (distance) C4'-P energy: -148.113 bonds (distance) P-C4' energy: -143.724 flat angles C4'-P-C4' energy: -147.340 flat angles P-C4'-P energy: -82.628 tors. eta vs tors. theta energy: -104.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -933.569001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.569001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.569001 (E_RNA) where: Base-Base interactions energy: -377.688 where: short stacking energy: -366.327 Base-Backbone interact. energy: -1.678 local terms energy: -554.202936 where: bonds (distance) C4'-P energy: -134.280 bonds (distance) P-C4' energy: -141.930 flat angles C4'-P-C4' energy: -141.047 flat angles P-C4'-P energy: -88.601 tors. eta vs tors. theta energy: -48.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -871.255788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.255788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.255788 (E_RNA) where: Base-Base interactions energy: -366.679 where: short stacking energy: -332.112 Base-Backbone interact. energy: 2.085 local terms energy: -506.661912 where: bonds (distance) C4'-P energy: -129.615 bonds (distance) P-C4' energy: -153.063 flat angles C4'-P-C4' energy: -119.944 flat angles P-C4'-P energy: -63.318 tors. eta vs tors. theta energy: -40.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -807.141323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.141323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.141323 (E_RNA) where: Base-Base interactions energy: -311.964 where: short stacking energy: -297.321 Base-Backbone interact. energy: -1.036 local terms energy: -494.141062 where: bonds (distance) C4'-P energy: -120.180 bonds (distance) P-C4' energy: -126.222 flat angles C4'-P-C4' energy: -129.879 flat angles P-C4'-P energy: -77.558 tors. eta vs tors. theta energy: -40.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -691.098252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.098252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.098252 (E_RNA) where: Base-Base interactions energy: -209.047 where: short stacking energy: -188.997 Base-Backbone interact. energy: -0.153 local terms energy: -481.897979 where: bonds (distance) C4'-P energy: -141.272 bonds (distance) P-C4' energy: -139.531 flat angles C4'-P-C4' energy: -122.050 flat angles P-C4'-P energy: -73.177 tors. eta vs tors. theta energy: -5.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -707.591769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.591769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.591769 (E_RNA) where: Base-Base interactions energy: -255.554 where: short stacking energy: -236.263 Base-Backbone interact. energy: 4.200 local terms energy: -456.237659 where: bonds (distance) C4'-P energy: -102.419 bonds (distance) P-C4' energy: -141.081 flat angles C4'-P-C4' energy: -113.900 flat angles P-C4'-P energy: -73.358 tors. eta vs tors. theta energy: -25.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -622.907311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.907311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.907311 (E_RNA) where: Base-Base interactions energy: -200.477 where: short stacking energy: -193.178 Base-Backbone interact. energy: 3.012 local terms energy: -425.442602 where: bonds (distance) C4'-P energy: -131.430 bonds (distance) P-C4' energy: -121.914 flat angles C4'-P-C4' energy: -95.181 flat angles P-C4'-P energy: -78.739 tors. eta vs tors. theta energy: 1.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -542.551956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.551956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.551956 (E_RNA) where: Base-Base interactions energy: -191.166 where: short stacking energy: -181.095 Base-Backbone interact. energy: 5.214 local terms energy: -356.599895 where: bonds (distance) C4'-P energy: -99.865 bonds (distance) P-C4' energy: -143.769 flat angles C4'-P-C4' energy: -84.877 flat angles P-C4'-P energy: -55.206 tors. eta vs tors. theta energy: 27.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1268.203178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.203178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.203178 (E_RNA) where: Base-Base interactions energy: -579.185 where: short stacking energy: -560.993 Base-Backbone interact. energy: -0.703 local terms energy: -688.315163 where: bonds (distance) C4'-P energy: -137.777 bonds (distance) P-C4' energy: -149.487 flat angles C4'-P-C4' energy: -163.834 flat angles P-C4'-P energy: -103.835 tors. eta vs tors. theta energy: -133.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1149.134647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.134647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.134647 (E_RNA) where: Base-Base interactions energy: -502.231 where: short stacking energy: -438.424 Base-Backbone interact. energy: -0.379 local terms energy: -646.524622 where: bonds (distance) C4'-P energy: -151.062 bonds (distance) P-C4' energy: -150.986 flat angles C4'-P-C4' energy: -148.929 flat angles P-C4'-P energy: -102.465 tors. eta vs tors. theta energy: -93.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1037.442484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.442484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.442484 (E_RNA) where: Base-Base interactions energy: -423.301 where: short stacking energy: -403.045 Base-Backbone interact. energy: -1.433 local terms energy: -612.707988 where: bonds (distance) C4'-P energy: -133.681 bonds (distance) P-C4' energy: -151.823 flat angles C4'-P-C4' energy: -141.270 flat angles P-C4'-P energy: -93.573 tors. eta vs tors. theta energy: -92.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -965.428620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.428620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.428620 (E_RNA) where: Base-Base interactions energy: -381.320 where: short stacking energy: -360.248 Base-Backbone interact. energy: 0.173 local terms energy: -584.281518 where: bonds (distance) C4'-P energy: -139.192 bonds (distance) P-C4' energy: -140.166 flat angles C4'-P-C4' energy: -145.576 flat angles P-C4'-P energy: -92.398 tors. eta vs tors. theta energy: -66.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -912.606133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.606133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.606133 (E_RNA) where: Base-Base interactions energy: -382.553 where: short stacking energy: -337.166 Base-Backbone interact. energy: 1.527 local terms energy: -531.580248 where: bonds (distance) C4'-P energy: -133.522 bonds (distance) P-C4' energy: -136.591 flat angles C4'-P-C4' energy: -125.454 flat angles P-C4'-P energy: -77.351 tors. eta vs tors. theta energy: -58.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -864.501079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.501079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.501079 (E_RNA) where: Base-Base interactions energy: -358.293 where: short stacking energy: -298.530 Base-Backbone interact. energy: -0.569 local terms energy: -505.638772 where: bonds (distance) C4'-P energy: -116.544 bonds (distance) P-C4' energy: -131.599 flat angles C4'-P-C4' energy: -131.532 flat angles P-C4'-P energy: -77.581 tors. eta vs tors. theta energy: -48.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -774.228801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.228801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.228801 (E_RNA) where: Base-Base interactions energy: -262.981 where: short stacking energy: -245.883 Base-Backbone interact. energy: 10.423 local terms energy: -521.670233 where: bonds (distance) C4'-P energy: -132.341 bonds (distance) P-C4' energy: -157.077 flat angles C4'-P-C4' energy: -122.707 flat angles P-C4'-P energy: -72.964 tors. eta vs tors. theta energy: -36.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -673.630324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.630324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.630324 (E_RNA) where: Base-Base interactions energy: -229.996 where: short stacking energy: -205.196 Base-Backbone interact. energy: 1.106 local terms energy: -444.740850 where: bonds (distance) C4'-P energy: -119.895 bonds (distance) P-C4' energy: -128.047 flat angles C4'-P-C4' energy: -108.239 flat angles P-C4'-P energy: -80.266 tors. eta vs tors. theta energy: -8.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -639.800724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.800724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.800724 (E_RNA) where: Base-Base interactions energy: -224.641 where: short stacking energy: -199.538 Base-Backbone interact. energy: 4.680 local terms energy: -419.839837 where: bonds (distance) C4'-P energy: -108.381 bonds (distance) P-C4' energy: -126.402 flat angles C4'-P-C4' energy: -107.683 flat angles P-C4'-P energy: -73.062 tors. eta vs tors. theta energy: -4.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -585.658131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.658131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.658131 (E_RNA) where: Base-Base interactions energy: -224.680 where: short stacking energy: -195.710 Base-Backbone interact. energy: -0.055 local terms energy: -360.923324 where: bonds (distance) C4'-P energy: -116.492 bonds (distance) P-C4' energy: -121.059 flat angles C4'-P-C4' energy: -104.075 flat angles P-C4'-P energy: -38.065 tors. eta vs tors. theta energy: 18.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1286.728270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.728270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.728270 (E_RNA) where: Base-Base interactions energy: -588.851 where: short stacking energy: -570.051 Base-Backbone interact. energy: -0.551 local terms energy: -697.325704 where: bonds (distance) C4'-P energy: -156.203 bonds (distance) P-C4' energy: -146.526 flat angles C4'-P-C4' energy: -153.183 flat angles P-C4'-P energy: -91.248 tors. eta vs tors. theta energy: -150.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1181.444204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.444204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.444204 (E_RNA) where: Base-Base interactions energy: -543.541 where: short stacking energy: -429.289 Base-Backbone interact. energy: 4.748 local terms energy: -642.651803 where: bonds (distance) C4'-P energy: -158.528 bonds (distance) P-C4' energy: -157.819 flat angles C4'-P-C4' energy: -137.201 flat angles P-C4'-P energy: -106.319 tors. eta vs tors. theta energy: -82.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1053.863395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.863395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.863395 (E_RNA) where: Base-Base interactions energy: -455.516 where: short stacking energy: -400.388 Base-Backbone interact. energy: -1.717 local terms energy: -596.630174 where: bonds (distance) C4'-P energy: -150.078 bonds (distance) P-C4' energy: -145.650 flat angles C4'-P-C4' energy: -136.648 flat angles P-C4'-P energy: -98.548 tors. eta vs tors. theta energy: -65.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -979.463222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.463222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.463222 (E_RNA) where: Base-Base interactions energy: -398.623 where: short stacking energy: -358.090 Base-Backbone interact. energy: -0.309 local terms energy: -580.531434 where: bonds (distance) C4'-P energy: -142.233 bonds (distance) P-C4' energy: -132.438 flat angles C4'-P-C4' energy: -137.691 flat angles P-C4'-P energy: -96.185 tors. eta vs tors. theta energy: -71.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -968.501403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.501403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.501403 (E_RNA) where: Base-Base interactions energy: -421.353 where: short stacking energy: -323.669 Base-Backbone interact. energy: 0.797 local terms energy: -547.945874 where: bonds (distance) C4'-P energy: -139.521 bonds (distance) P-C4' energy: -142.351 flat angles C4'-P-C4' energy: -135.251 flat angles P-C4'-P energy: -82.388 tors. eta vs tors. theta energy: -48.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -854.710378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.710378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.710378 (E_RNA) where: Base-Base interactions energy: -355.616 where: short stacking energy: -319.390 Base-Backbone interact. energy: 5.261 local terms energy: -504.355302 where: bonds (distance) C4'-P energy: -120.973 bonds (distance) P-C4' energy: -144.702 flat angles C4'-P-C4' energy: -120.133 flat angles P-C4'-P energy: -83.399 tors. eta vs tors. theta energy: -35.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -724.981677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.981677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.981677 (E_RNA) where: Base-Base interactions energy: -264.070 where: short stacking energy: -244.612 Base-Backbone interact. energy: 1.298 local terms energy: -462.209334 where: bonds (distance) C4'-P energy: -115.708 bonds (distance) P-C4' energy: -133.563 flat angles C4'-P-C4' energy: -125.461 flat angles P-C4'-P energy: -81.111 tors. eta vs tors. theta energy: -6.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -655.662313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.662313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.662313 (E_RNA) where: Base-Base interactions energy: -229.409 where: short stacking energy: -206.530 Base-Backbone interact. energy: -0.483 local terms energy: -425.770517 where: bonds (distance) C4'-P energy: -109.905 bonds (distance) P-C4' energy: -131.393 flat angles C4'-P-C4' energy: -117.063 flat angles P-C4'-P energy: -78.366 tors. eta vs tors. theta energy: 10.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -610.904908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.904908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.904908 (E_RNA) where: Base-Base interactions energy: -202.691 where: short stacking energy: -173.827 Base-Backbone interact. energy: 3.380 local terms energy: -411.593823 where: bonds (distance) C4'-P energy: -116.168 bonds (distance) P-C4' energy: -142.029 flat angles C4'-P-C4' energy: -107.937 flat angles P-C4'-P energy: -62.844 tors. eta vs tors. theta energy: 17.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -570.488099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.488099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.488099 (E_RNA) where: Base-Base interactions energy: -224.094 where: short stacking energy: -177.114 Base-Backbone interact. energy: 4.440 local terms energy: -350.834375 where: bonds (distance) C4'-P energy: -117.188 bonds (distance) P-C4' energy: -116.181 flat angles C4'-P-C4' energy: -90.052 flat angles P-C4'-P energy: -55.563 tors. eta vs tors. theta energy: 28.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1343.726991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.726991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.726991 (E_RNA) where: Base-Base interactions energy: -646.453 where: short stacking energy: -573.097 Base-Backbone interact. energy: -0.260 local terms energy: -697.014159 where: bonds (distance) C4'-P energy: -138.594 bonds (distance) P-C4' energy: -153.171 flat angles C4'-P-C4' energy: -157.888 flat angles P-C4'-P energy: -110.954 tors. eta vs tors. theta energy: -136.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1250.438797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.438797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.438797 (E_RNA) where: Base-Base interactions energy: -611.889 where: short stacking energy: -474.730 Base-Backbone interact. energy: -0.309 local terms energy: -638.240337 where: bonds (distance) C4'-P energy: -148.066 bonds (distance) P-C4' energy: -145.215 flat angles C4'-P-C4' energy: -137.972 flat angles P-C4'-P energy: -87.104 tors. eta vs tors. theta energy: -119.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1108.075995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.075995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.075995 (E_RNA) where: Base-Base interactions energy: -500.732 where: short stacking energy: -421.498 Base-Backbone interact. energy: -1.102 local terms energy: -606.241527 where: bonds (distance) C4'-P energy: -137.117 bonds (distance) P-C4' energy: -138.955 flat angles C4'-P-C4' energy: -133.272 flat angles P-C4'-P energy: -98.526 tors. eta vs tors. theta energy: -98.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -991.252063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.252063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.252063 (E_RNA) where: Base-Base interactions energy: -416.595 where: short stacking energy: -377.031 Base-Backbone interact. energy: 1.860 local terms energy: -576.516562 where: bonds (distance) C4'-P energy: -146.156 bonds (distance) P-C4' energy: -147.558 flat angles C4'-P-C4' energy: -133.333 flat angles P-C4'-P energy: -91.030 tors. eta vs tors. theta energy: -58.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -936.877183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.877183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.877183 (E_RNA) where: Base-Base interactions energy: -428.825 where: short stacking energy: -338.460 Base-Backbone interact. energy: 2.217 local terms energy: -510.268244 where: bonds (distance) C4'-P energy: -145.052 bonds (distance) P-C4' energy: -134.496 flat angles C4'-P-C4' energy: -107.903 flat angles P-C4'-P energy: -80.350 tors. eta vs tors. theta energy: -42.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -871.110468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.110468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.110468 (E_RNA) where: Base-Base interactions energy: -368.704 where: short stacking energy: -308.941 Base-Backbone interact. energy: -1.315 local terms energy: -501.091679 where: bonds (distance) C4'-P energy: -128.752 bonds (distance) P-C4' energy: -137.960 flat angles C4'-P-C4' energy: -114.238 flat angles P-C4'-P energy: -67.535 tors. eta vs tors. theta energy: -52.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -760.967704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.967704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.967704 (E_RNA) where: Base-Base interactions energy: -305.924 where: short stacking energy: -261.072 Base-Backbone interact. energy: 7.505 local terms energy: -462.549153 where: bonds (distance) C4'-P energy: -121.894 bonds (distance) P-C4' energy: -129.646 flat angles C4'-P-C4' energy: -135.629 flat angles P-C4'-P energy: -58.038 tors. eta vs tors. theta energy: -17.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -690.762943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.762943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.762943 (E_RNA) where: Base-Base interactions energy: -271.175 where: short stacking energy: -237.753 Base-Backbone interact. energy: -0.523 local terms energy: -419.065268 where: bonds (distance) C4'-P energy: -116.152 bonds (distance) P-C4' energy: -138.667 flat angles C4'-P-C4' energy: -117.551 flat angles P-C4'-P energy: -38.102 tors. eta vs tors. theta energy: -8.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -624.873324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.873324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.873324 (E_RNA) where: Base-Base interactions energy: -208.109 where: short stacking energy: -198.289 Base-Backbone interact. energy: 1.016 local terms energy: -417.780267 where: bonds (distance) C4'-P energy: -116.935 bonds (distance) P-C4' energy: -139.403 flat angles C4'-P-C4' energy: -113.422 flat angles P-C4'-P energy: -57.118 tors. eta vs tors. theta energy: 9.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -566.229281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.229281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.229281 (E_RNA) where: Base-Base interactions energy: -217.908 where: short stacking energy: -173.790 Base-Backbone interact. energy: 4.604 local terms energy: -352.925825 where: bonds (distance) C4'-P energy: -90.838 bonds (distance) P-C4' energy: -115.431 flat angles C4'-P-C4' energy: -104.534 flat angles P-C4'-P energy: -55.997 tors. eta vs tors. theta energy: 13.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1332.290020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.290020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.290020 (E_RNA) where: Base-Base interactions energy: -639.073 where: short stacking energy: -570.940 Base-Backbone interact. energy: -0.522 local terms energy: -692.695527 where: bonds (distance) C4'-P energy: -146.432 bonds (distance) P-C4' energy: -152.558 flat angles C4'-P-C4' energy: -148.037 flat angles P-C4'-P energy: -107.907 tors. eta vs tors. theta energy: -137.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1257.127671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.127671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.127671 (E_RNA) where: Base-Base interactions energy: -579.809 where: short stacking energy: -467.602 Base-Backbone interact. energy: -1.624 local terms energy: -675.694947 where: bonds (distance) C4'-P energy: -159.121 bonds (distance) P-C4' energy: -157.229 flat angles C4'-P-C4' energy: -148.548 flat angles P-C4'-P energy: -102.382 tors. eta vs tors. theta energy: -108.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1151.555899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.555899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.555899 (E_RNA) where: Base-Base interactions energy: -515.316 where: short stacking energy: -451.445 Base-Backbone interact. energy: -1.600 local terms energy: -634.639584 where: bonds (distance) C4'-P energy: -139.683 bonds (distance) P-C4' energy: -143.777 flat angles C4'-P-C4' energy: -138.566 flat angles P-C4'-P energy: -89.881 tors. eta vs tors. theta energy: -122.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -994.207308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.207308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.207308 (E_RNA) where: Base-Base interactions energy: -410.406 where: short stacking energy: -356.851 Base-Backbone interact. energy: 2.422 local terms energy: -586.223808 where: bonds (distance) C4'-P energy: -136.083 bonds (distance) P-C4' energy: -142.154 flat angles C4'-P-C4' energy: -136.371 flat angles P-C4'-P energy: -101.995 tors. eta vs tors. theta energy: -69.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -965.651284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.651284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.651284 (E_RNA) where: Base-Base interactions energy: -432.513 where: short stacking energy: -338.021 Base-Backbone interact. energy: 2.406 local terms energy: -535.544526 where: bonds (distance) C4'-P energy: -123.457 bonds (distance) P-C4' energy: -138.609 flat angles C4'-P-C4' energy: -132.155 flat angles P-C4'-P energy: -90.105 tors. eta vs tors. theta energy: -51.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -806.253624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.253624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.253624 (E_RNA) where: Base-Base interactions energy: -312.804 where: short stacking energy: -267.537 Base-Backbone interact. energy: -3.491 local terms energy: -489.958611 where: bonds (distance) C4'-P energy: -145.081 bonds (distance) P-C4' energy: -145.993 flat angles C4'-P-C4' energy: -129.413 flat angles P-C4'-P energy: -58.791 tors. eta vs tors. theta energy: -10.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -772.735424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.735424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.735424 (E_RNA) where: Base-Base interactions energy: -313.236 where: short stacking energy: -252.559 Base-Backbone interact. energy: -2.434 local terms energy: -457.065267 where: bonds (distance) C4'-P energy: -129.364 bonds (distance) P-C4' energy: -129.437 flat angles C4'-P-C4' energy: -103.127 flat angles P-C4'-P energy: -80.558 tors. eta vs tors. theta energy: -14.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -671.751780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.751780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.751780 (E_RNA) where: Base-Base interactions energy: -246.543 where: short stacking energy: -218.203 Base-Backbone interact. energy: 1.569 local terms energy: -426.777836 where: bonds (distance) C4'-P energy: -131.554 bonds (distance) P-C4' energy: -146.203 flat angles C4'-P-C4' energy: -98.201 flat angles P-C4'-P energy: -50.556 tors. eta vs tors. theta energy: -0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -617.893582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.893582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.893582 (E_RNA) where: Base-Base interactions energy: -230.227 where: short stacking energy: -183.987 Base-Backbone interact. energy: 1.058 local terms energy: -388.723979 where: bonds (distance) C4'-P energy: -114.608 bonds (distance) P-C4' energy: -120.381 flat angles C4'-P-C4' energy: -115.428 flat angles P-C4'-P energy: -46.964 tors. eta vs tors. theta energy: 8.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -606.855464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.855464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.855464 (E_RNA) where: Base-Base interactions energy: -202.249 where: short stacking energy: -172.303 Base-Backbone interact. energy: 12.017 local terms energy: -416.623628 where: bonds (distance) C4'-P energy: -125.520 bonds (distance) P-C4' energy: -133.302 flat angles C4'-P-C4' energy: -97.257 flat angles P-C4'-P energy: -79.370 tors. eta vs tors. theta energy: 18.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1320.779881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.779881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.779881 (E_RNA) where: Base-Base interactions energy: -617.803 where: short stacking energy: -541.868 Base-Backbone interact. energy: 0.289 local terms energy: -703.265286 where: bonds (distance) C4'-P energy: -152.509 bonds (distance) P-C4' energy: -149.478 flat angles C4'-P-C4' energy: -154.779 flat angles P-C4'-P energy: -103.108 tors. eta vs tors. theta energy: -143.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1229.783371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.783371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.783371 (E_RNA) where: Base-Base interactions energy: -559.217 where: short stacking energy: -446.105 Base-Backbone interact. energy: -0.610 local terms energy: -669.956802 where: bonds (distance) C4'-P energy: -154.803 bonds (distance) P-C4' energy: -155.394 flat angles C4'-P-C4' energy: -153.602 flat angles P-C4'-P energy: -108.823 tors. eta vs tors. theta energy: -97.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1154.266157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.266157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.266157 (E_RNA) where: Base-Base interactions energy: -529.504 where: short stacking energy: -435.536 Base-Backbone interact. energy: 1.378 local terms energy: -626.140550 where: bonds (distance) C4'-P energy: -136.767 bonds (distance) P-C4' energy: -155.116 flat angles C4'-P-C4' energy: -139.534 flat angles P-C4'-P energy: -97.080 tors. eta vs tors. theta energy: -97.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -992.102782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.102782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.102782 (E_RNA) where: Base-Base interactions energy: -425.439 where: short stacking energy: -393.566 Base-Backbone interact. energy: -2.427 local terms energy: -564.236489 where: bonds (distance) C4'-P energy: -132.004 bonds (distance) P-C4' energy: -152.599 flat angles C4'-P-C4' energy: -118.005 flat angles P-C4'-P energy: -94.957 tors. eta vs tors. theta energy: -66.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1010.179039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.179039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.179039 (E_RNA) where: Base-Base interactions energy: -461.522 where: short stacking energy: -346.722 Base-Backbone interact. energy: -1.357 local terms energy: -547.300312 where: bonds (distance) C4'-P energy: -128.412 bonds (distance) P-C4' energy: -132.210 flat angles C4'-P-C4' energy: -137.045 flat angles P-C4'-P energy: -88.502 tors. eta vs tors. theta energy: -61.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -807.492877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.492877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.492877 (E_RNA) where: Base-Base interactions energy: -303.537 where: short stacking energy: -259.301 Base-Backbone interact. energy: 0.725 local terms energy: -504.681176 where: bonds (distance) C4'-P energy: -124.439 bonds (distance) P-C4' energy: -133.278 flat angles C4'-P-C4' energy: -129.692 flat angles P-C4'-P energy: -83.051 tors. eta vs tors. theta energy: -34.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -862.569662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.569662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.569662 (E_RNA) where: Base-Base interactions energy: -386.893 where: short stacking energy: -291.109 Base-Backbone interact. energy: 0.744 local terms energy: -476.420674 where: bonds (distance) C4'-P energy: -126.237 bonds (distance) P-C4' energy: -120.472 flat angles C4'-P-C4' energy: -125.922 flat angles P-C4'-P energy: -78.061 tors. eta vs tors. theta energy: -25.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -659.245173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.245173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.245173 (E_RNA) where: Base-Base interactions energy: -242.412 where: short stacking energy: -231.226 Base-Backbone interact. energy: 4.266 local terms energy: -421.099179 where: bonds (distance) C4'-P energy: -102.233 bonds (distance) P-C4' energy: -130.814 flat angles C4'-P-C4' energy: -122.776 flat angles P-C4'-P energy: -69.907 tors. eta vs tors. theta energy: 4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -607.248638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.248638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.248638 (E_RNA) where: Base-Base interactions energy: -193.499 where: short stacking energy: -173.715 Base-Backbone interact. energy: 0.387 local terms energy: -414.136722 where: bonds (distance) C4'-P energy: -130.950 bonds (distance) P-C4' energy: -125.939 flat angles C4'-P-C4' energy: -99.443 flat angles P-C4'-P energy: -66.063 tors. eta vs tors. theta energy: 8.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -548.700516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.700516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.700516 (E_RNA) where: Base-Base interactions energy: -180.117 where: short stacking energy: -167.224 Base-Backbone interact. energy: -1.732 local terms energy: -368.392112 where: bonds (distance) C4'-P energy: -120.348 bonds (distance) P-C4' energy: -140.293 flat angles C4'-P-C4' energy: -99.242 flat angles P-C4'-P energy: -48.753 tors. eta vs tors. theta energy: 40.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.541 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1337.050767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.050767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.050767 (E_RNA) where: Base-Base interactions energy: -632.633 where: short stacking energy: -575.975 Base-Backbone interact. energy: -0.534 local terms energy: -703.883722 where: bonds (distance) C4'-P energy: -143.522 bonds (distance) P-C4' energy: -151.277 flat angles C4'-P-C4' energy: -170.442 flat angles P-C4'-P energy: -98.762 tors. eta vs tors. theta energy: -139.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1256.639013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.639013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.639013 (E_RNA) where: Base-Base interactions energy: -617.614 where: short stacking energy: -478.613 Base-Backbone interact. energy: -1.512 local terms energy: -637.512571 where: bonds (distance) C4'-P energy: -141.817 bonds (distance) P-C4' energy: -143.613 flat angles C4'-P-C4' energy: -159.177 flat angles P-C4'-P energy: -97.099 tors. eta vs tors. theta energy: -95.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1109.291961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.291961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.291961 (E_RNA) where: Base-Base interactions energy: -524.418 where: short stacking energy: -423.625 Base-Backbone interact. energy: -0.448 local terms energy: -585.080939 where: bonds (distance) C4'-P energy: -136.598 bonds (distance) P-C4' energy: -141.692 flat angles C4'-P-C4' energy: -154.270 flat angles P-C4'-P energy: -82.713 tors. eta vs tors. theta energy: -69.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.655 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1053.865386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.865386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.865386 (E_RNA) where: Base-Base interactions energy: -495.029 where: short stacking energy: -397.117 Base-Backbone interact. energy: 1.378 local terms energy: -560.214611 where: bonds (distance) C4'-P energy: -128.713 bonds (distance) P-C4' energy: -149.353 flat angles C4'-P-C4' energy: -139.172 flat angles P-C4'-P energy: -74.182 tors. eta vs tors. theta energy: -68.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -975.573052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.573052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.573052 (E_RNA) where: Base-Base interactions energy: -419.521 where: short stacking energy: -331.750 Base-Backbone interact. energy: -0.194 local terms energy: -555.857555 where: bonds (distance) C4'-P energy: -121.734 bonds (distance) P-C4' energy: -140.738 flat angles C4'-P-C4' energy: -147.163 flat angles P-C4'-P energy: -86.755 tors. eta vs tors. theta energy: -59.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -779.985340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.985340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.985340 (E_RNA) where: Base-Base interactions energy: -295.838 where: short stacking energy: -266.302 Base-Backbone interact. energy: 0.510 local terms energy: -484.657588 where: bonds (distance) C4'-P energy: -135.008 bonds (distance) P-C4' energy: -127.391 flat angles C4'-P-C4' energy: -120.630 flat angles P-C4'-P energy: -68.445 tors. eta vs tors. theta energy: -33.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -797.194727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.194727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.194727 (E_RNA) where: Base-Base interactions energy: -317.677 where: short stacking energy: -234.172 Base-Backbone interact. energy: 1.103 local terms energy: -480.620913 where: bonds (distance) C4'-P energy: -133.568 bonds (distance) P-C4' energy: -134.434 flat angles C4'-P-C4' energy: -128.449 flat angles P-C4'-P energy: -68.284 tors. eta vs tors. theta energy: -15.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -674.356816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.356816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.356816 (E_RNA) where: Base-Base interactions energy: -274.844 where: short stacking energy: -230.730 Base-Backbone interact. energy: 6.023 local terms energy: -405.535342 where: bonds (distance) C4'-P energy: -105.286 bonds (distance) P-C4' energy: -125.409 flat angles C4'-P-C4' energy: -106.329 flat angles P-C4'-P energy: -73.996 tors. eta vs tors. theta energy: 5.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -612.042563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.042563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.042563 (E_RNA) where: Base-Base interactions energy: -228.245 where: short stacking energy: -201.292 Base-Backbone interact. energy: 5.766 local terms energy: -389.563394 where: bonds (distance) C4'-P energy: -110.101 bonds (distance) P-C4' energy: -128.616 flat angles C4'-P-C4' energy: -107.658 flat angles P-C4'-P energy: -60.814 tors. eta vs tors. theta energy: 17.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -544.573056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.573056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.573056 (E_RNA) where: Base-Base interactions energy: -150.675 where: short stacking energy: -134.991 Base-Backbone interact. energy: 1.970 local terms energy: -395.868117 where: bonds (distance) C4'-P energy: -130.262 bonds (distance) P-C4' energy: -138.311 flat angles C4'-P-C4' energy: -93.580 flat angles P-C4'-P energy: -66.197 tors. eta vs tors. theta energy: 32.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1362.741907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.741907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.741907 (E_RNA) where: Base-Base interactions energy: -658.587 where: short stacking energy: -575.229 Base-Backbone interact. energy: -1.559 local terms energy: -702.595549 where: bonds (distance) C4'-P energy: -131.701 bonds (distance) P-C4' energy: -161.385 flat angles C4'-P-C4' energy: -159.230 flat angles P-C4'-P energy: -102.936 tors. eta vs tors. theta energy: -147.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1296.214817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.214817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.214817 (E_RNA) where: Base-Base interactions energy: -639.392 where: short stacking energy: -512.078 Base-Backbone interact. energy: -0.405 local terms energy: -656.417955 where: bonds (distance) C4'-P energy: -122.812 bonds (distance) P-C4' energy: -158.998 flat angles C4'-P-C4' energy: -158.504 flat angles P-C4'-P energy: -101.535 tors. eta vs tors. theta energy: -114.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1170.025647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.025647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.025647 (E_RNA) where: Base-Base interactions energy: -569.561 where: short stacking energy: -421.581 Base-Backbone interact. energy: -1.980 local terms energy: -598.484893 where: bonds (distance) C4'-P energy: -140.907 bonds (distance) P-C4' energy: -147.567 flat angles C4'-P-C4' energy: -135.548 flat angles P-C4'-P energy: -91.186 tors. eta vs tors. theta energy: -83.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1161.520665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.520665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.520665 (E_RNA) where: Base-Base interactions energy: -566.002 where: short stacking energy: -374.536 Base-Backbone interact. energy: -1.747 local terms energy: -593.771799 where: bonds (distance) C4'-P energy: -129.948 bonds (distance) P-C4' energy: -157.813 flat angles C4'-P-C4' energy: -135.762 flat angles P-C4'-P energy: -90.034 tors. eta vs tors. theta energy: -80.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -968.294919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.294919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.294919 (E_RNA) where: Base-Base interactions energy: -424.484 where: short stacking energy: -337.303 Base-Backbone interact. energy: -0.316 local terms energy: -543.495019 where: bonds (distance) C4'-P energy: -123.325 bonds (distance) P-C4' energy: -153.355 flat angles C4'-P-C4' energy: -147.309 flat angles P-C4'-P energy: -71.443 tors. eta vs tors. theta energy: -48.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -851.776999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.776999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.776999 (E_RNA) where: Base-Base interactions energy: -345.038 where: short stacking energy: -282.849 Base-Backbone interact. energy: 0.018 local terms energy: -506.756858 where: bonds (distance) C4'-P energy: -153.252 bonds (distance) P-C4' energy: -146.202 flat angles C4'-P-C4' energy: -112.656 flat angles P-C4'-P energy: -69.147 tors. eta vs tors. theta energy: -25.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -801.274683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.274683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.274683 (E_RNA) where: Base-Base interactions energy: -337.011 where: short stacking energy: -256.359 Base-Backbone interact. energy: 0.483 local terms energy: -464.746908 where: bonds (distance) C4'-P energy: -121.927 bonds (distance) P-C4' energy: -138.320 flat angles C4'-P-C4' energy: -108.695 flat angles P-C4'-P energy: -69.543 tors. eta vs tors. theta energy: -26.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -677.344049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.344049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.344049 (E_RNA) where: Base-Base interactions energy: -287.994 where: short stacking energy: -212.471 Base-Backbone interact. energy: 2.160 local terms energy: -391.510056 where: bonds (distance) C4'-P energy: -114.295 bonds (distance) P-C4' energy: -138.095 flat angles C4'-P-C4' energy: -97.601 flat angles P-C4'-P energy: -46.925 tors. eta vs tors. theta energy: 5.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -619.093433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.093433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.093433 (E_RNA) where: Base-Base interactions energy: -204.416 where: short stacking energy: -196.283 Base-Backbone interact. energy: -0.993 local terms energy: -413.683514 where: bonds (distance) C4'-P energy: -113.054 bonds (distance) P-C4' energy: -139.530 flat angles C4'-P-C4' energy: -100.406 flat angles P-C4'-P energy: -76.414 tors. eta vs tors. theta energy: 15.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -565.604358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.604358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.604358 (E_RNA) where: Base-Base interactions energy: -198.443 where: short stacking energy: -168.272 Base-Backbone interact. energy: -1.682 local terms energy: -365.479136 where: bonds (distance) C4'-P energy: -100.591 bonds (distance) P-C4' energy: -125.764 flat angles C4'-P-C4' energy: -98.181 flat angles P-C4'-P energy: -55.392 tors. eta vs tors. theta energy: 14.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1403.642804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.642804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.642804 (E_RNA) where: Base-Base interactions energy: -702.600 where: short stacking energy: -610.611 Base-Backbone interact. energy: 1.539 local terms energy: -702.581786 where: bonds (distance) C4'-P energy: -139.682 bonds (distance) P-C4' energy: -151.601 flat angles C4'-P-C4' energy: -153.750 flat angles P-C4'-P energy: -102.156 tors. eta vs tors. theta energy: -155.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1387.833657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.833657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.833657 (E_RNA) where: Base-Base interactions energy: -723.817 where: short stacking energy: -512.853 Base-Backbone interact. energy: -2.082 local terms energy: -661.935037 where: bonds (distance) C4'-P energy: -151.825 bonds (distance) P-C4' energy: -155.790 flat angles C4'-P-C4' energy: -152.873 flat angles P-C4'-P energy: -81.467 tors. eta vs tors. theta energy: -119.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1278.854304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.854304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.854304 (E_RNA) where: Base-Base interactions energy: -658.952 where: short stacking energy: -478.972 Base-Backbone interact. energy: -1.170 local terms energy: -618.732661 where: bonds (distance) C4'-P energy: -134.507 bonds (distance) P-C4' energy: -143.573 flat angles C4'-P-C4' energy: -149.430 flat angles P-C4'-P energy: -81.426 tors. eta vs tors. theta energy: -109.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1116.167807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.167807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.167807 (E_RNA) where: Base-Base interactions energy: -528.609 where: short stacking energy: -382.951 Base-Backbone interact. energy: -2.186 local terms energy: -585.372785 where: bonds (distance) C4'-P energy: -149.678 bonds (distance) P-C4' energy: -137.944 flat angles C4'-P-C4' energy: -135.141 flat angles P-C4'-P energy: -86.963 tors. eta vs tors. theta energy: -75.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -976.250840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.250840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.250840 (E_RNA) where: Base-Base interactions energy: -441.160 where: short stacking energy: -343.306 Base-Backbone interact. energy: -0.967 local terms energy: -534.124337 where: bonds (distance) C4'-P energy: -129.774 bonds (distance) P-C4' energy: -136.355 flat angles C4'-P-C4' energy: -128.548 flat angles P-C4'-P energy: -79.772 tors. eta vs tors. theta energy: -59.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -795.483280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.483280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.483280 (E_RNA) where: Base-Base interactions energy: -320.055 where: short stacking energy: -302.705 Base-Backbone interact. energy: 3.110 local terms energy: -478.537595 where: bonds (distance) C4'-P energy: -117.586 bonds (distance) P-C4' energy: -125.478 flat angles C4'-P-C4' energy: -140.785 flat angles P-C4'-P energy: -76.455 tors. eta vs tors. theta energy: -18.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -748.983766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.983766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.983766 (E_RNA) where: Base-Base interactions energy: -325.851 where: short stacking energy: -229.966 Base-Backbone interact. energy: 0.041 local terms energy: -423.173168 where: bonds (distance) C4'-P energy: -115.028 bonds (distance) P-C4' energy: -116.001 flat angles C4'-P-C4' energy: -116.762 flat angles P-C4'-P energy: -63.789 tors. eta vs tors. theta energy: -11.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -683.175850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.175850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.175850 (E_RNA) where: Base-Base interactions energy: -256.863 where: short stacking energy: -213.088 Base-Backbone interact. energy: -1.801 local terms energy: -424.512177 where: bonds (distance) C4'-P energy: -127.612 bonds (distance) P-C4' energy: -129.333 flat angles C4'-P-C4' energy: -105.307 flat angles P-C4'-P energy: -58.851 tors. eta vs tors. theta energy: -3.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -618.941660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.941660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.941660 (E_RNA) where: Base-Base interactions energy: -194.340 where: short stacking energy: -169.559 Base-Backbone interact. energy: -0.272 local terms energy: -424.329661 where: bonds (distance) C4'-P energy: -137.528 bonds (distance) P-C4' energy: -128.639 flat angles C4'-P-C4' energy: -101.891 flat angles P-C4'-P energy: -60.923 tors. eta vs tors. theta energy: 4.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -558.172971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.172971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.172971 (E_RNA) where: Base-Base interactions energy: -154.829 where: short stacking energy: -142.547 Base-Backbone interact. energy: 4.224 local terms energy: -407.567966 where: bonds (distance) C4'-P energy: -141.175 bonds (distance) P-C4' energy: -122.006 flat angles C4'-P-C4' energy: -114.181 flat angles P-C4'-P energy: -66.063 tors. eta vs tors. theta energy: 35.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1402.250527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.250527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.250527 (E_RNA) where: Base-Base interactions energy: -717.560 where: short stacking energy: -574.525 Base-Backbone interact. energy: -1.309 local terms energy: -683.381292 where: bonds (distance) C4'-P energy: -142.077 bonds (distance) P-C4' energy: -152.795 flat angles C4'-P-C4' energy: -158.809 flat angles P-C4'-P energy: -90.285 tors. eta vs tors. theta energy: -139.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1374.259056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.259056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.259056 (E_RNA) where: Base-Base interactions energy: -715.315 where: short stacking energy: -486.527 Base-Backbone interact. energy: -1.359 local terms energy: -657.585303 where: bonds (distance) C4'-P energy: -147.679 bonds (distance) P-C4' energy: -159.340 flat angles C4'-P-C4' energy: -150.841 flat angles P-C4'-P energy: -95.039 tors. eta vs tors. theta energy: -104.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1274.334015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.334015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.334015 (E_RNA) where: Base-Base interactions energy: -652.933 where: short stacking energy: -465.311 Base-Backbone interact. energy: -0.709 local terms energy: -620.691845 where: bonds (distance) C4'-P energy: -127.862 bonds (distance) P-C4' energy: -157.409 flat angles C4'-P-C4' energy: -141.945 flat angles P-C4'-P energy: -82.140 tors. eta vs tors. theta energy: -111.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1082.939852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.939852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.939852 (E_RNA) where: Base-Base interactions energy: -496.320 where: short stacking energy: -352.223 Base-Backbone interact. energy: 0.468 local terms energy: -587.088440 where: bonds (distance) C4'-P energy: -158.140 bonds (distance) P-C4' energy: -137.475 flat angles C4'-P-C4' energy: -145.492 flat angles P-C4'-P energy: -86.864 tors. eta vs tors. theta energy: -59.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1020.652041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.652041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.652041 (E_RNA) where: Base-Base interactions energy: -481.240 where: short stacking energy: -355.424 Base-Backbone interact. energy: 2.254 local terms energy: -541.666335 where: bonds (distance) C4'-P energy: -123.748 bonds (distance) P-C4' energy: -135.597 flat angles C4'-P-C4' energy: -125.337 flat angles P-C4'-P energy: -75.475 tors. eta vs tors. theta energy: -81.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -862.619020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.619020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.619020 (E_RNA) where: Base-Base interactions energy: -362.803 where: short stacking energy: -286.483 Base-Backbone interact. energy: -2.605 local terms energy: -497.210586 where: bonds (distance) C4'-P energy: -136.069 bonds (distance) P-C4' energy: -144.338 flat angles C4'-P-C4' energy: -124.021 flat angles P-C4'-P energy: -68.637 tors. eta vs tors. theta energy: -24.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -719.282839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.282839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.282839 (E_RNA) where: Base-Base interactions energy: -232.476 where: short stacking energy: -196.182 Base-Backbone interact. energy: 5.227 local terms energy: -492.033494 where: bonds (distance) C4'-P energy: -138.072 bonds (distance) P-C4' energy: -140.889 flat angles C4'-P-C4' energy: -126.657 flat angles P-C4'-P energy: -80.770 tors. eta vs tors. theta energy: -5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -673.944297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.944297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.944297 (E_RNA) where: Base-Base interactions energy: -231.434 where: short stacking energy: -205.964 Base-Backbone interact. energy: -0.782 local terms energy: -441.728005 where: bonds (distance) C4'-P energy: -132.743 bonds (distance) P-C4' energy: -136.610 flat angles C4'-P-C4' energy: -124.050 flat angles P-C4'-P energy: -47.373 tors. eta vs tors. theta energy: -0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -616.796465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.796465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.796465 (E_RNA) where: Base-Base interactions energy: -205.348 where: short stacking energy: -171.640 Base-Backbone interact. energy: 5.710 local terms energy: -417.157919 where: bonds (distance) C4'-P energy: -136.700 bonds (distance) P-C4' energy: -141.967 flat angles C4'-P-C4' energy: -89.484 flat angles P-C4'-P energy: -60.757 tors. eta vs tors. theta energy: 11.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -546.865927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.865927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.865927 (E_RNA) where: Base-Base interactions energy: -159.456 where: short stacking energy: -124.634 Base-Backbone interact. energy: -0.234 local terms energy: -387.175613 where: bonds (distance) C4'-P energy: -120.264 bonds (distance) P-C4' energy: -133.101 flat angles C4'-P-C4' energy: -102.192 flat angles P-C4'-P energy: -61.097 tors. eta vs tors. theta energy: 29.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1543.288927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.288927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.288927 (E_RNA) where: Base-Base interactions energy: -859.013 where: short stacking energy: -572.738 Base-Backbone interact. energy: 1.413 local terms energy: -685.689234 where: bonds (distance) C4'-P energy: -164.914 bonds (distance) P-C4' energy: -141.945 flat angles C4'-P-C4' energy: -159.488 flat angles P-C4'-P energy: -93.997 tors. eta vs tors. theta energy: -125.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1324.243305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.243305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.243305 (E_RNA) where: Base-Base interactions energy: -650.383 where: short stacking energy: -515.513 Base-Backbone interact. energy: 0.254 local terms energy: -674.114761 where: bonds (distance) C4'-P energy: -137.712 bonds (distance) P-C4' energy: -151.212 flat angles C4'-P-C4' energy: -153.595 flat angles P-C4'-P energy: -93.300 tors. eta vs tors. theta energy: -138.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1310.376970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.376970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.376970 (E_RNA) where: Base-Base interactions energy: -679.414 where: short stacking energy: -466.737 Base-Backbone interact. energy: -0.348 local terms energy: -630.614696 where: bonds (distance) C4'-P energy: -142.801 bonds (distance) P-C4' energy: -147.135 flat angles C4'-P-C4' energy: -158.773 flat angles P-C4'-P energy: -85.181 tors. eta vs tors. theta energy: -96.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1238.244079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.244079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.244079 (E_RNA) where: Base-Base interactions energy: -644.051 where: short stacking energy: -421.643 Base-Backbone interact. energy: 3.030 local terms energy: -597.223088 where: bonds (distance) C4'-P energy: -128.207 bonds (distance) P-C4' energy: -149.483 flat angles C4'-P-C4' energy: -155.302 flat angles P-C4'-P energy: -73.258 tors. eta vs tors. theta energy: -90.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1031.512024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.512024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.512024 (E_RNA) where: Base-Base interactions energy: -511.525 where: short stacking energy: -340.093 Base-Backbone interact. energy: 0.962 local terms energy: -520.949031 where: bonds (distance) C4'-P energy: -136.733 bonds (distance) P-C4' energy: -139.706 flat angles C4'-P-C4' energy: -129.222 flat angles P-C4'-P energy: -53.570 tors. eta vs tors. theta energy: -61.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -868.260453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.260453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.260453 (E_RNA) where: Base-Base interactions energy: -404.194 where: short stacking energy: -313.701 Base-Backbone interact. energy: 3.974 local terms energy: -468.039790 where: bonds (distance) C4'-P energy: -118.746 bonds (distance) P-C4' energy: -123.804 flat angles C4'-P-C4' energy: -127.898 flat angles P-C4'-P energy: -66.949 tors. eta vs tors. theta energy: -30.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -799.706588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.706588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.706588 (E_RNA) where: Base-Base interactions energy: -314.706 where: short stacking energy: -217.749 Base-Backbone interact. energy: -1.913 local terms energy: -483.087651 where: bonds (distance) C4'-P energy: -121.870 bonds (distance) P-C4' energy: -142.418 flat angles C4'-P-C4' energy: -133.455 flat angles P-C4'-P energy: -75.685 tors. eta vs tors. theta energy: -9.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -697.523203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.523203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.523203 (E_RNA) where: Base-Base interactions energy: -253.408 where: short stacking energy: -224.172 Base-Backbone interact. energy: 4.357 local terms energy: -448.472482 where: bonds (distance) C4'-P energy: -114.367 bonds (distance) P-C4' energy: -137.708 flat angles C4'-P-C4' energy: -124.818 flat angles P-C4'-P energy: -69.200 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -618.912267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.912267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.912267 (E_RNA) where: Base-Base interactions energy: -229.869 where: short stacking energy: -209.937 Base-Backbone interact. energy: -3.982 local terms energy: -385.061010 where: bonds (distance) C4'-P energy: -129.192 bonds (distance) P-C4' energy: -110.207 flat angles C4'-P-C4' energy: -93.915 flat angles P-C4'-P energy: -57.106 tors. eta vs tors. theta energy: 5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -570.393282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.393282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.393282 (E_RNA) where: Base-Base interactions energy: -201.973 where: short stacking energy: -178.521 Base-Backbone interact. energy: -0.619 local terms energy: -367.801304 where: bonds (distance) C4'-P energy: -116.662 bonds (distance) P-C4' energy: -119.756 flat angles C4'-P-C4' energy: -112.447 flat angles P-C4'-P energy: -48.511 tors. eta vs tors. theta energy: 29.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1617.052063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.052063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.052063 (E_RNA) where: Base-Base interactions energy: -892.407 where: short stacking energy: -587.858 Base-Backbone interact. energy: -1.142 local terms energy: -723.503134 where: bonds (distance) C4'-P energy: -147.344 bonds (distance) P-C4' energy: -149.730 flat angles C4'-P-C4' energy: -169.732 flat angles P-C4'-P energy: -103.726 tors. eta vs tors. theta energy: -152.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1264.592701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.592701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.592701 (E_RNA) where: Base-Base interactions energy: -605.005 where: short stacking energy: -473.646 Base-Backbone interact. energy: -1.753 local terms energy: -657.834503 where: bonds (distance) C4'-P energy: -147.101 bonds (distance) P-C4' energy: -156.911 flat angles C4'-P-C4' energy: -134.788 flat angles P-C4'-P energy: -108.878 tors. eta vs tors. theta energy: -110.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1340.003554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.003554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.003554 (E_RNA) where: Base-Base interactions energy: -670.014 where: short stacking energy: -452.865 Base-Backbone interact. energy: -1.924 local terms energy: -668.065640 where: bonds (distance) C4'-P energy: -157.108 bonds (distance) P-C4' energy: -149.620 flat angles C4'-P-C4' energy: -154.964 flat angles P-C4'-P energy: -95.216 tors. eta vs tors. theta energy: -111.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1276.060278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.060278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.060278 (E_RNA) where: Base-Base interactions energy: -666.667 where: short stacking energy: -400.678 Base-Backbone interact. energy: -3.053 local terms energy: -606.340127 where: bonds (distance) C4'-P energy: -136.361 bonds (distance) P-C4' energy: -151.166 flat angles C4'-P-C4' energy: -138.659 flat angles P-C4'-P energy: -89.131 tors. eta vs tors. theta energy: -91.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1084.808792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.808792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.808792 (E_RNA) where: Base-Base interactions energy: -516.447 where: short stacking energy: -368.378 Base-Backbone interact. energy: -0.338 local terms energy: -568.023929 where: bonds (distance) C4'-P energy: -138.789 bonds (distance) P-C4' energy: -138.884 flat angles C4'-P-C4' energy: -136.749 flat angles P-C4'-P energy: -91.573 tors. eta vs tors. theta energy: -62.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -878.508488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.508488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.508488 (E_RNA) where: Base-Base interactions energy: -399.370 where: short stacking energy: -289.035 Base-Backbone interact. energy: -1.440 local terms energy: -477.698026 where: bonds (distance) C4'-P energy: -126.293 bonds (distance) P-C4' energy: -139.025 flat angles C4'-P-C4' energy: -115.349 flat angles P-C4'-P energy: -82.618 tors. eta vs tors. theta energy: -14.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -876.052264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.052264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.052264 (E_RNA) where: Base-Base interactions energy: -423.497 where: short stacking energy: -285.354 Base-Backbone interact. energy: -2.147 local terms energy: -450.407503 where: bonds (distance) C4'-P energy: -111.265 bonds (distance) P-C4' energy: -125.871 flat angles C4'-P-C4' energy: -122.744 flat angles P-C4'-P energy: -69.602 tors. eta vs tors. theta energy: -20.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -783.218192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.218192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.218192 (E_RNA) where: Base-Base interactions energy: -323.151 where: short stacking energy: -229.707 Base-Backbone interact. energy: -0.577 local terms energy: -461.143872 where: bonds (distance) C4'-P energy: -129.603 bonds (distance) P-C4' energy: -138.441 flat angles C4'-P-C4' energy: -131.556 flat angles P-C4'-P energy: -63.067 tors. eta vs tors. theta energy: 1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.653 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -599.824499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.824499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.824499 (E_RNA) where: Base-Base interactions energy: -212.269 where: short stacking energy: -167.141 Base-Backbone interact. energy: 1.130 local terms energy: -388.685451 where: bonds (distance) C4'-P energy: -126.099 bonds (distance) P-C4' energy: -125.215 flat angles C4'-P-C4' energy: -96.293 flat angles P-C4'-P energy: -59.503 tors. eta vs tors. theta energy: 18.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -651.760736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.760736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.760736 (E_RNA) where: Base-Base interactions energy: -276.460 where: short stacking energy: -223.662 Base-Backbone interact. energy: 9.518 local terms energy: -384.818779 where: bonds (distance) C4'-P energy: -114.746 bonds (distance) P-C4' energy: -122.045 flat angles C4'-P-C4' energy: -99.593 flat angles P-C4'-P energy: -64.229 tors. eta vs tors. theta energy: 15.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1589.718575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.718575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.718575 (E_RNA) where: Base-Base interactions energy: -901.739 where: short stacking energy: -572.282 Base-Backbone interact. energy: -1.013 local terms energy: -686.966880 where: bonds (distance) C4'-P energy: -156.121 bonds (distance) P-C4' energy: -159.815 flat angles C4'-P-C4' energy: -147.082 flat angles P-C4'-P energy: -83.382 tors. eta vs tors. theta energy: -140.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1295.779204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.779204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.779204 (E_RNA) where: Base-Base interactions energy: -655.112 where: short stacking energy: -513.939 Base-Backbone interact. energy: 1.423 local terms energy: -642.090203 where: bonds (distance) C4'-P energy: -143.848 bonds (distance) P-C4' energy: -154.025 flat angles C4'-P-C4' energy: -145.855 flat angles P-C4'-P energy: -82.158 tors. eta vs tors. theta energy: -116.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1392.739020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.739020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.739020 (E_RNA) where: Base-Base interactions energy: -758.484 where: short stacking energy: -486.545 Base-Backbone interact. energy: 1.404 local terms energy: -635.658839 where: bonds (distance) C4'-P energy: -140.259 bonds (distance) P-C4' energy: -146.531 flat angles C4'-P-C4' energy: -152.811 flat angles P-C4'-P energy: -82.916 tors. eta vs tors. theta energy: -113.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1285.486648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.486648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.486648 (E_RNA) where: Base-Base interactions energy: -687.402 where: short stacking energy: -439.380 Base-Backbone interact. energy: 2.838 local terms energy: -600.922167 where: bonds (distance) C4'-P energy: -134.553 bonds (distance) P-C4' energy: -144.413 flat angles C4'-P-C4' energy: -159.453 flat angles P-C4'-P energy: -73.624 tors. eta vs tors. theta energy: -88.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1068.007363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.007363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.007363 (E_RNA) where: Base-Base interactions energy: -520.673 where: short stacking energy: -364.220 Base-Backbone interact. energy: -0.497 local terms energy: -546.837143 where: bonds (distance) C4'-P energy: -117.811 bonds (distance) P-C4' energy: -148.068 flat angles C4'-P-C4' energy: -153.340 flat angles P-C4'-P energy: -68.914 tors. eta vs tors. theta energy: -58.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -876.700693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.700693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.700693 (E_RNA) where: Base-Base interactions energy: -388.860 where: short stacking energy: -300.338 Base-Backbone interact. energy: -1.969 local terms energy: -485.871654 where: bonds (distance) C4'-P energy: -110.901 bonds (distance) P-C4' energy: -125.792 flat angles C4'-P-C4' energy: -127.141 flat angles P-C4'-P energy: -78.740 tors. eta vs tors. theta energy: -43.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -865.034176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.034176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.034176 (E_RNA) where: Base-Base interactions energy: -410.681 where: short stacking energy: -281.642 Base-Backbone interact. energy: -0.948 local terms energy: -453.405280 where: bonds (distance) C4'-P energy: -120.421 bonds (distance) P-C4' energy: -130.935 flat angles C4'-P-C4' energy: -115.844 flat angles P-C4'-P energy: -56.188 tors. eta vs tors. theta energy: -30.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -807.990376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.990376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.990376 (E_RNA) where: Base-Base interactions energy: -354.559 where: short stacking energy: -263.562 Base-Backbone interact. energy: 1.171 local terms energy: -454.602506 where: bonds (distance) C4'-P energy: -129.616 bonds (distance) P-C4' energy: -155.699 flat angles C4'-P-C4' energy: -91.481 flat angles P-C4'-P energy: -72.368 tors. eta vs tors. theta energy: -5.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -629.749923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.749923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.749923 (E_RNA) where: Base-Base interactions energy: -208.693 where: short stacking energy: -185.877 Base-Backbone interact. energy: -0.417 local terms energy: -420.640282 where: bonds (distance) C4'-P energy: -120.838 bonds (distance) P-C4' energy: -139.363 flat angles C4'-P-C4' energy: -121.328 flat angles P-C4'-P energy: -52.692 tors. eta vs tors. theta energy: 13.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -570.905535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.905535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.905535 (E_RNA) where: Base-Base interactions energy: -196.629 where: short stacking energy: -158.804 Base-Backbone interact. energy: 1.724 local terms energy: -376.000278 where: bonds (distance) C4'-P energy: -117.133 bonds (distance) P-C4' energy: -120.281 flat angles C4'-P-C4' energy: -99.804 flat angles P-C4'-P energy: -53.385 tors. eta vs tors. theta energy: 14.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1611.018488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.018488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.018488 (E_RNA) where: Base-Base interactions energy: -908.153 where: short stacking energy: -574.998 Base-Backbone interact. energy: -1.194 local terms energy: -701.671343 where: bonds (distance) C4'-P energy: -155.549 bonds (distance) P-C4' energy: -151.234 flat angles C4'-P-C4' energy: -170.291 flat angles P-C4'-P energy: -85.024 tors. eta vs tors. theta energy: -139.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1484.792489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.792489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.792489 (E_RNA) where: Base-Base interactions energy: -822.903 where: short stacking energy: -563.863 Base-Backbone interact. energy: 1.649 local terms energy: -663.539273 where: bonds (distance) C4'-P energy: -130.281 bonds (distance) P-C4' energy: -142.987 flat angles C4'-P-C4' energy: -154.233 flat angles P-C4'-P energy: -98.153 tors. eta vs tors. theta energy: -137.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1254.409466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.409466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.409466 (E_RNA) where: Base-Base interactions energy: -605.789 where: short stacking energy: -450.660 Base-Backbone interact. energy: -1.653 local terms energy: -646.966857 where: bonds (distance) C4'-P energy: -148.672 bonds (distance) P-C4' energy: -140.773 flat angles C4'-P-C4' energy: -147.441 flat angles P-C4'-P energy: -99.690 tors. eta vs tors. theta energy: -110.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1268.338261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.338261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.338261 (E_RNA) where: Base-Base interactions energy: -700.034 where: short stacking energy: -430.006 Base-Backbone interact. energy: 1.147 local terms energy: -569.450990 where: bonds (distance) C4'-P energy: -134.505 bonds (distance) P-C4' energy: -140.729 flat angles C4'-P-C4' energy: -120.445 flat angles P-C4'-P energy: -92.799 tors. eta vs tors. theta energy: -80.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1108.031620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.031620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.031620 (E_RNA) where: Base-Base interactions energy: -572.638 where: short stacking energy: -385.710 Base-Backbone interact. energy: -1.721 local terms energy: -533.672867 where: bonds (distance) C4'-P energy: -136.316 bonds (distance) P-C4' energy: -132.053 flat angles C4'-P-C4' energy: -135.464 flat angles P-C4'-P energy: -52.823 tors. eta vs tors. theta energy: -77.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -885.969129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.969129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.969129 (E_RNA) where: Base-Base interactions energy: -374.912 where: short stacking energy: -310.386 Base-Backbone interact. energy: 0.929 local terms energy: -511.985994 where: bonds (distance) C4'-P energy: -130.914 bonds (distance) P-C4' energy: -125.102 flat angles C4'-P-C4' energy: -133.439 flat angles P-C4'-P energy: -77.766 tors. eta vs tors. theta energy: -44.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -920.433514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.433514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.433514 (E_RNA) where: Base-Base interactions energy: -466.179 where: short stacking energy: -320.907 Base-Backbone interact. energy: 2.130 local terms energy: -457.619586 where: bonds (distance) C4'-P energy: -116.384 bonds (distance) P-C4' energy: -126.315 flat angles C4'-P-C4' energy: -109.271 flat angles P-C4'-P energy: -72.431 tors. eta vs tors. theta energy: -33.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.236 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -817.971083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.971083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.971083 (E_RNA) where: Base-Base interactions energy: -382.488 where: short stacking energy: -243.470 Base-Backbone interact. energy: 5.166 local terms energy: -440.649224 where: bonds (distance) C4'-P energy: -147.568 bonds (distance) P-C4' energy: -124.680 flat angles C4'-P-C4' energy: -113.472 flat angles P-C4'-P energy: -59.844 tors. eta vs tors. theta energy: 4.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -568.626859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.626859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.626859 (E_RNA) where: Base-Base interactions energy: -194.588 where: short stacking energy: -160.871 Base-Backbone interact. energy: 1.506 local terms energy: -375.544449 where: bonds (distance) C4'-P energy: -112.471 bonds (distance) P-C4' energy: -141.415 flat angles C4'-P-C4' energy: -105.222 flat angles P-C4'-P energy: -48.867 tors. eta vs tors. theta energy: 32.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -560.794835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.794835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.794835 (E_RNA) where: Base-Base interactions energy: -186.649 where: short stacking energy: -169.180 Base-Backbone interact. energy: -0.360 local terms energy: -373.786377 where: bonds (distance) C4'-P energy: -104.391 bonds (distance) P-C4' energy: -120.139 flat angles C4'-P-C4' energy: -103.994 flat angles P-C4'-P energy: -59.113 tors. eta vs tors. theta energy: 13.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1643.546821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.546821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.546821 (E_RNA) where: Base-Base interactions energy: -946.211 where: short stacking energy: -575.873 Base-Backbone interact. energy: -1.580 local terms energy: -695.755796 where: bonds (distance) C4'-P energy: -134.558 bonds (distance) P-C4' energy: -147.952 flat angles C4'-P-C4' energy: -157.458 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -159.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1492.630359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.630359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.630359 (E_RNA) where: Base-Base interactions energy: -833.420 where: short stacking energy: -519.808 Base-Backbone interact. energy: 2.092 local terms energy: -661.303110 where: bonds (distance) C4'-P energy: -152.238 bonds (distance) P-C4' energy: -124.121 flat angles C4'-P-C4' energy: -142.569 flat angles P-C4'-P energy: -108.809 tors. eta vs tors. theta energy: -133.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1394.020943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.020943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.020943 (E_RNA) where: Base-Base interactions energy: -771.712 where: short stacking energy: -493.182 Base-Backbone interact. energy: 0.170 local terms energy: -622.478468 where: bonds (distance) C4'-P energy: -144.752 bonds (distance) P-C4' energy: -135.798 flat angles C4'-P-C4' energy: -143.844 flat angles P-C4'-P energy: -76.556 tors. eta vs tors. theta energy: -121.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1130.255610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.255610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.255610 (E_RNA) where: Base-Base interactions energy: -534.415 where: short stacking energy: -409.544 Base-Backbone interact. energy: -1.091 local terms energy: -594.750071 where: bonds (distance) C4'-P energy: -134.685 bonds (distance) P-C4' energy: -147.122 flat angles C4'-P-C4' energy: -151.452 flat angles P-C4'-P energy: -75.300 tors. eta vs tors. theta energy: -86.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1119.256496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.256496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.256496 (E_RNA) where: Base-Base interactions energy: -594.706 where: short stacking energy: -387.137 Base-Backbone interact. energy: 0.003 local terms energy: -524.554126 where: bonds (distance) C4'-P energy: -122.015 bonds (distance) P-C4' energy: -148.473 flat angles C4'-P-C4' energy: -120.712 flat angles P-C4'-P energy: -70.624 tors. eta vs tors. theta energy: -62.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -949.887720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.887720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.887720 (E_RNA) where: Base-Base interactions energy: -422.176 where: short stacking energy: -305.468 Base-Backbone interact. energy: -0.484 local terms energy: -527.228056 where: bonds (distance) C4'-P energy: -135.769 bonds (distance) P-C4' energy: -139.880 flat angles C4'-P-C4' energy: -138.476 flat angles P-C4'-P energy: -73.274 tors. eta vs tors. theta energy: -39.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -980.626721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.626721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.626721 (E_RNA) where: Base-Base interactions energy: -499.419 where: short stacking energy: -306.400 Base-Backbone interact. energy: 0.173 local terms energy: -481.380552 where: bonds (distance) C4'-P energy: -120.781 bonds (distance) P-C4' energy: -128.764 flat angles C4'-P-C4' energy: -126.056 flat angles P-C4'-P energy: -66.104 tors. eta vs tors. theta energy: -39.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -831.887003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.887003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.887003 (E_RNA) where: Base-Base interactions energy: -359.009 where: short stacking energy: -213.998 Base-Backbone interact. energy: 3.213 local terms energy: -476.091264 where: bonds (distance) C4'-P energy: -124.032 bonds (distance) P-C4' energy: -144.830 flat angles C4'-P-C4' energy: -137.197 flat angles P-C4'-P energy: -68.884 tors. eta vs tors. theta energy: -1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -609.357349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.357349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.357349 (E_RNA) where: Base-Base interactions energy: -195.502 where: short stacking energy: -185.627 Base-Backbone interact. energy: 2.069 local terms energy: -415.923934 where: bonds (distance) C4'-P energy: -107.065 bonds (distance) P-C4' energy: -141.763 flat angles C4'-P-C4' energy: -123.833 flat angles P-C4'-P energy: -61.232 tors. eta vs tors. theta energy: 17.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -559.994551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.994551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.994551 (E_RNA) where: Base-Base interactions energy: -191.117 where: short stacking energy: -173.166 Base-Backbone interact. energy: 2.094 local terms energy: -370.971250 where: bonds (distance) C4'-P energy: -110.166 bonds (distance) P-C4' energy: -134.173 flat angles C4'-P-C4' energy: -111.134 flat angles P-C4'-P energy: -47.022 tors. eta vs tors. theta energy: 31.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1639.361339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.361339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.361339 (E_RNA) where: Base-Base interactions energy: -956.947 where: short stacking energy: -553.462 Base-Backbone interact. energy: -4.259 local terms energy: -678.155172 where: bonds (distance) C4'-P energy: -130.088 bonds (distance) P-C4' energy: -161.640 flat angles C4'-P-C4' energy: -162.616 flat angles P-C4'-P energy: -89.421 tors. eta vs tors. theta energy: -134.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1521.726226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.726226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.726226 (E_RNA) where: Base-Base interactions energy: -869.757 where: short stacking energy: -500.745 Base-Backbone interact. energy: -0.702 local terms energy: -651.267089 where: bonds (distance) C4'-P energy: -147.205 bonds (distance) P-C4' energy: -166.200 flat angles C4'-P-C4' energy: -147.260 flat angles P-C4'-P energy: -85.038 tors. eta vs tors. theta energy: -105.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1456.765649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.765649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.765649 (E_RNA) where: Base-Base interactions energy: -825.531 where: short stacking energy: -497.662 Base-Backbone interact. energy: -1.761 local terms energy: -629.473651 where: bonds (distance) C4'-P energy: -135.232 bonds (distance) P-C4' energy: -143.659 flat angles C4'-P-C4' energy: -141.551 flat angles P-C4'-P energy: -95.818 tors. eta vs tors. theta energy: -113.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1123.280709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.280709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.280709 (E_RNA) where: Base-Base interactions energy: -510.947 where: short stacking energy: -387.466 Base-Backbone interact. energy: 0.770 local terms energy: -613.103684 where: bonds (distance) C4'-P energy: -157.120 bonds (distance) P-C4' energy: -148.863 flat angles C4'-P-C4' energy: -134.637 flat angles P-C4'-P energy: -80.519 tors. eta vs tors. theta energy: -91.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1206.454720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.454720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.454720 (E_RNA) where: Base-Base interactions energy: -649.291 where: short stacking energy: -371.488 Base-Backbone interact. energy: 2.473 local terms energy: -559.636630 where: bonds (distance) C4'-P energy: -118.958 bonds (distance) P-C4' energy: -128.209 flat angles C4'-P-C4' energy: -150.506 flat angles P-C4'-P energy: -87.303 tors. eta vs tors. theta energy: -74.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1047.467044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.467044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.467044 (E_RNA) where: Base-Base interactions energy: -551.162 where: short stacking energy: -333.881 Base-Backbone interact. energy: 1.541 local terms energy: -497.845345 where: bonds (distance) C4'-P energy: -107.661 bonds (distance) P-C4' energy: -136.052 flat angles C4'-P-C4' energy: -140.752 flat angles P-C4'-P energy: -76.919 tors. eta vs tors. theta energy: -36.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -922.189439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.189439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.189439 (E_RNA) where: Base-Base interactions energy: -427.175 where: short stacking energy: -293.217 Base-Backbone interact. energy: 2.244 local terms energy: -497.258471 where: bonds (distance) C4'-P energy: -105.317 bonds (distance) P-C4' energy: -144.328 flat angles C4'-P-C4' energy: -127.892 flat angles P-C4'-P energy: -82.040 tors. eta vs tors. theta energy: -37.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -872.151735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.151735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.151735 (E_RNA) where: Base-Base interactions energy: -447.996 where: short stacking energy: -263.891 Base-Backbone interact. energy: 5.919 local terms energy: -430.075268 where: bonds (distance) C4'-P energy: -111.595 bonds (distance) P-C4' energy: -124.018 flat angles C4'-P-C4' energy: -116.653 flat angles P-C4'-P energy: -60.883 tors. eta vs tors. theta energy: -16.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -710.598051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.598051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.598051 (E_RNA) where: Base-Base interactions energy: -280.729 where: short stacking energy: -194.701 Base-Backbone interact. energy: -0.181 local terms energy: -429.688493 where: bonds (distance) C4'-P energy: -125.422 bonds (distance) P-C4' energy: -148.608 flat angles C4'-P-C4' energy: -106.181 flat angles P-C4'-P energy: -59.170 tors. eta vs tors. theta energy: 9.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -573.463780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.463780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.463780 (E_RNA) where: Base-Base interactions energy: -168.979 where: short stacking energy: -154.354 Base-Backbone interact. energy: 10.836 local terms energy: -415.320747 where: bonds (distance) C4'-P energy: -120.317 bonds (distance) P-C4' energy: -128.497 flat angles C4'-P-C4' energy: -117.045 flat angles P-C4'-P energy: -71.572 tors. eta vs tors. theta energy: 22.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1677.096295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.096295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.096295 (E_RNA) where: Base-Base interactions energy: -976.861 where: short stacking energy: -567.023 Base-Backbone interact. energy: -0.815 local terms energy: -699.420171 where: bonds (distance) C4'-P energy: -156.774 bonds (distance) P-C4' energy: -134.730 flat angles C4'-P-C4' energy: -160.445 flat angles P-C4'-P energy: -104.346 tors. eta vs tors. theta energy: -143.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1543.315856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.315856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.315856 (E_RNA) where: Base-Base interactions energy: -887.813 where: short stacking energy: -514.155 Base-Backbone interact. energy: -3.446 local terms energy: -652.056380 where: bonds (distance) C4'-P energy: -139.133 bonds (distance) P-C4' energy: -154.834 flat angles C4'-P-C4' energy: -147.781 flat angles P-C4'-P energy: -86.252 tors. eta vs tors. theta energy: -124.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1454.336721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.336721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.336721 (E_RNA) where: Base-Base interactions energy: -805.626 where: short stacking energy: -478.150 Base-Backbone interact. energy: 3.408 local terms energy: -652.118668 where: bonds (distance) C4'-P energy: -143.807 bonds (distance) P-C4' energy: -146.114 flat angles C4'-P-C4' energy: -153.632 flat angles P-C4'-P energy: -87.939 tors. eta vs tors. theta energy: -120.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1083.500637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.500637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.500637 (E_RNA) where: Base-Base interactions energy: -519.950 where: short stacking energy: -389.712 Base-Backbone interact. energy: -0.229 local terms energy: -563.322248 where: bonds (distance) C4'-P energy: -117.598 bonds (distance) P-C4' energy: -143.409 flat angles C4'-P-C4' energy: -153.077 flat angles P-C4'-P energy: -80.381 tors. eta vs tors. theta energy: -68.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1324.744267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.744267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.744267 (E_RNA) where: Base-Base interactions energy: -741.090 where: short stacking energy: -446.623 Base-Backbone interact. energy: -1.473 local terms energy: -582.181597 where: bonds (distance) C4'-P energy: -131.284 bonds (distance) P-C4' energy: -140.774 flat angles C4'-P-C4' energy: -150.162 flat angles P-C4'-P energy: -73.689 tors. eta vs tors. theta energy: -86.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1070.269067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.269067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.269067 (E_RNA) where: Base-Base interactions energy: -571.882 where: short stacking energy: -310.378 Base-Backbone interact. energy: -1.068 local terms energy: -497.318651 where: bonds (distance) C4'-P energy: -138.450 bonds (distance) P-C4' energy: -146.515 flat angles C4'-P-C4' energy: -108.978 flat angles P-C4'-P energy: -71.915 tors. eta vs tors. theta energy: -31.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -900.111631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.111631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.111631 (E_RNA) where: Base-Base interactions energy: -429.797 where: short stacking energy: -294.339 Base-Backbone interact. energy: 6.038 local terms energy: -476.353072 where: bonds (distance) C4'-P energy: -126.839 bonds (distance) P-C4' energy: -153.890 flat angles C4'-P-C4' energy: -101.249 flat angles P-C4'-P energy: -67.911 tors. eta vs tors. theta energy: -26.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -886.194597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.194597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.194597 (E_RNA) where: Base-Base interactions energy: -445.291 where: short stacking energy: -261.858 Base-Backbone interact. energy: -1.666 local terms energy: -439.237577 where: bonds (distance) C4'-P energy: -131.456 bonds (distance) P-C4' energy: -120.562 flat angles C4'-P-C4' energy: -86.281 flat angles P-C4'-P energy: -81.845 tors. eta vs tors. theta energy: -19.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -733.369668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.369668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.369668 (E_RNA) where: Base-Base interactions energy: -332.981 where: short stacking energy: -212.902 Base-Backbone interact. energy: -2.040 local terms energy: -398.348342 where: bonds (distance) C4'-P energy: -125.260 bonds (distance) P-C4' energy: -136.823 flat angles C4'-P-C4' energy: -87.266 flat angles P-C4'-P energy: -60.588 tors. eta vs tors. theta energy: 11.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -585.320565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.320565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.320565 (E_RNA) where: Base-Base interactions energy: -180.252 where: short stacking energy: -169.765 Base-Backbone interact. energy: -1.146 local terms energy: -403.922785 where: bonds (distance) C4'-P energy: -111.119 bonds (distance) P-C4' energy: -139.322 flat angles C4'-P-C4' energy: -107.698 flat angles P-C4'-P energy: -62.531 tors. eta vs tors. theta energy: 16.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1632.064400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.064400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.064400 (E_RNA) where: Base-Base interactions energy: -946.576 where: short stacking energy: -548.626 Base-Backbone interact. energy: -0.270 local terms energy: -685.218060 where: bonds (distance) C4'-P energy: -139.780 bonds (distance) P-C4' energy: -147.035 flat angles C4'-P-C4' energy: -151.854 flat angles P-C4'-P energy: -108.664 tors. eta vs tors. theta energy: -137.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1583.189754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.189754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.189754 (E_RNA) where: Base-Base interactions energy: -918.962 where: short stacking energy: -545.431 Base-Backbone interact. energy: -2.082 local terms energy: -662.145337 where: bonds (distance) C4'-P energy: -142.786 bonds (distance) P-C4' energy: -158.983 flat angles C4'-P-C4' energy: -150.907 flat angles P-C4'-P energy: -78.736 tors. eta vs tors. theta energy: -130.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1493.998153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.998153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.998153 (E_RNA) where: Base-Base interactions energy: -858.156 where: short stacking energy: -530.949 Base-Backbone interact. energy: -3.034 local terms energy: -632.808452 where: bonds (distance) C4'-P energy: -128.712 bonds (distance) P-C4' energy: -135.840 flat angles C4'-P-C4' energy: -154.412 flat angles P-C4'-P energy: -90.362 tors. eta vs tors. theta energy: -123.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1330.775004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.775004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.775004 (E_RNA) where: Base-Base interactions energy: -734.008 where: short stacking energy: -409.731 Base-Backbone interact. energy: 2.195 local terms energy: -598.961868 where: bonds (distance) C4'-P energy: -140.844 bonds (distance) P-C4' energy: -149.993 flat angles C4'-P-C4' energy: -136.224 flat angles P-C4'-P energy: -87.174 tors. eta vs tors. theta energy: -84.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1062.415841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.415841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.415841 (E_RNA) where: Base-Base interactions energy: -537.043 where: short stacking energy: -351.780 Base-Backbone interact. energy: -1.020 local terms energy: -524.352486 where: bonds (distance) C4'-P energy: -134.013 bonds (distance) P-C4' energy: -126.767 flat angles C4'-P-C4' energy: -135.779 flat angles P-C4'-P energy: -81.030 tors. eta vs tors. theta energy: -46.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1201.982926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.982926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.982926 (E_RNA) where: Base-Base interactions energy: -684.396 where: short stacking energy: -360.866 Base-Backbone interact. energy: -1.245 local terms energy: -516.342070 where: bonds (distance) C4'-P energy: -128.115 bonds (distance) P-C4' energy: -123.611 flat angles C4'-P-C4' energy: -131.174 flat angles P-C4'-P energy: -72.718 tors. eta vs tors. theta energy: -60.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -865.770492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.770492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.770492 (E_RNA) where: Base-Base interactions energy: -401.476 where: short stacking energy: -291.279 Base-Backbone interact. energy: 1.080 local terms energy: -465.373692 where: bonds (distance) C4'-P energy: -113.455 bonds (distance) P-C4' energy: -140.844 flat angles C4'-P-C4' energy: -129.224 flat angles P-C4'-P energy: -59.626 tors. eta vs tors. theta energy: -22.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -881.948838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.948838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.948838 (E_RNA) where: Base-Base interactions energy: -433.112 where: short stacking energy: -242.796 Base-Backbone interact. energy: -1.973 local terms energy: -446.863454 where: bonds (distance) C4'-P energy: -117.579 bonds (distance) P-C4' energy: -133.416 flat angles C4'-P-C4' energy: -120.820 flat angles P-C4'-P energy: -63.167 tors. eta vs tors. theta energy: -11.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -690.969871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.969871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.969871 (E_RNA) where: Base-Base interactions energy: -293.616 where: short stacking energy: -208.972 Base-Backbone interact. energy: 12.873 local terms energy: -410.227141 where: bonds (distance) C4'-P energy: -97.939 bonds (distance) P-C4' energy: -135.154 flat angles C4'-P-C4' energy: -81.749 flat angles P-C4'-P energy: -85.568 tors. eta vs tors. theta energy: -9.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -561.532801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.532801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.532801 (E_RNA) where: Base-Base interactions energy: -207.360 where: short stacking energy: -182.940 Base-Backbone interact. energy: 0.936 local terms energy: -355.109336 where: bonds (distance) C4'-P energy: -110.144 bonds (distance) P-C4' energy: -122.152 flat angles C4'-P-C4' energy: -98.120 flat angles P-C4'-P energy: -50.344 tors. eta vs tors. theta energy: 25.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1660.270566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.270566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.270566 (E_RNA) where: Base-Base interactions energy: -972.511 where: short stacking energy: -566.553 Base-Backbone interact. energy: -0.148 local terms energy: -687.612282 where: bonds (distance) C4'-P energy: -134.475 bonds (distance) P-C4' energy: -161.112 flat angles C4'-P-C4' energy: -169.294 flat angles P-C4'-P energy: -91.586 tors. eta vs tors. theta energy: -131.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1586.217528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.217528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.217528 (E_RNA) where: Base-Base interactions energy: -927.286 where: short stacking energy: -523.819 Base-Backbone interact. energy: 0.377 local terms energy: -659.308643 where: bonds (distance) C4'-P energy: -138.098 bonds (distance) P-C4' energy: -149.248 flat angles C4'-P-C4' energy: -153.942 flat angles P-C4'-P energy: -88.982 tors. eta vs tors. theta energy: -129.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1481.045744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.045744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.045744 (E_RNA) where: Base-Base interactions energy: -843.232 where: short stacking energy: -503.241 Base-Backbone interact. energy: 0.534 local terms energy: -638.348003 where: bonds (distance) C4'-P energy: -129.971 bonds (distance) P-C4' energy: -141.483 flat angles C4'-P-C4' energy: -155.956 flat angles P-C4'-P energy: -96.056 tors. eta vs tors. theta energy: -114.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1434.907433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.907433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.907433 (E_RNA) where: Base-Base interactions energy: -836.191 where: short stacking energy: -458.685 Base-Backbone interact. energy: -1.937 local terms energy: -596.780030 where: bonds (distance) C4'-P energy: -118.991 bonds (distance) P-C4' energy: -135.786 flat angles C4'-P-C4' energy: -149.070 flat angles P-C4'-P energy: -92.404 tors. eta vs tors. theta energy: -100.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1255.142113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.142113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.142113 (E_RNA) where: Base-Base interactions energy: -695.080 where: short stacking energy: -408.515 Base-Backbone interact. energy: 1.462 local terms energy: -561.523886 where: bonds (distance) C4'-P energy: -131.249 bonds (distance) P-C4' energy: -131.680 flat angles C4'-P-C4' energy: -143.219 flat angles P-C4'-P energy: -67.226 tors. eta vs tors. theta energy: -88.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -973.018008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.018008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.018008 (E_RNA) where: Base-Base interactions energy: -448.170 where: short stacking energy: -309.108 Base-Backbone interact. energy: -0.964 local terms energy: -523.884068 where: bonds (distance) C4'-P energy: -132.385 bonds (distance) P-C4' energy: -144.405 flat angles C4'-P-C4' energy: -135.854 flat angles P-C4'-P energy: -71.585 tors. eta vs tors. theta energy: -39.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -985.919777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.919777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.919777 (E_RNA) where: Base-Base interactions energy: -500.134 where: short stacking energy: -324.033 Base-Backbone interact. energy: 6.370 local terms energy: -492.155373 where: bonds (distance) C4'-P energy: -120.025 bonds (distance) P-C4' energy: -125.145 flat angles C4'-P-C4' energy: -130.910 flat angles P-C4'-P energy: -77.823 tors. eta vs tors. theta energy: -38.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -834.901461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.901461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.901461 (E_RNA) where: Base-Base interactions energy: -385.520 where: short stacking energy: -261.344 Base-Backbone interact. energy: 0.535 local terms energy: -449.915630 where: bonds (distance) C4'-P energy: -112.378 bonds (distance) P-C4' energy: -130.792 flat angles C4'-P-C4' energy: -102.914 flat angles P-C4'-P energy: -81.419 tors. eta vs tors. theta energy: -22.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -619.558122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.558122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.558122 (E_RNA) where: Base-Base interactions energy: -229.430 where: short stacking energy: -193.929 Base-Backbone interact. energy: -0.118 local terms energy: -390.010534 where: bonds (distance) C4'-P energy: -126.924 bonds (distance) P-C4' energy: -123.578 flat angles C4'-P-C4' energy: -113.414 flat angles P-C4'-P energy: -57.275 tors. eta vs tors. theta energy: 31.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -588.362141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.362141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.362141 (E_RNA) where: Base-Base interactions energy: -240.658 where: short stacking energy: -170.931 Base-Backbone interact. energy: -0.339 local terms energy: -347.365313 where: bonds (distance) C4'-P energy: -107.493 bonds (distance) P-C4' energy: -120.691 flat angles C4'-P-C4' energy: -82.266 flat angles P-C4'-P energy: -72.417 tors. eta vs tors. theta energy: 35.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1743.600366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.600366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.600366 (E_RNA) where: Base-Base interactions energy: -1018.841 where: short stacking energy: -634.843 Base-Backbone interact. energy: -1.189 local terms energy: -723.569919 where: bonds (distance) C4'-P energy: -160.754 bonds (distance) P-C4' energy: -138.668 flat angles C4'-P-C4' energy: -162.155 flat angles P-C4'-P energy: -99.468 tors. eta vs tors. theta energy: -162.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1583.284553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.284553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.284553 (E_RNA) where: Base-Base interactions energy: -923.485 where: short stacking energy: -546.741 Base-Backbone interact. energy: 0.572 local terms energy: -660.372317 where: bonds (distance) C4'-P energy: -131.746 bonds (distance) P-C4' energy: -147.045 flat angles C4'-P-C4' energy: -162.327 flat angles P-C4'-P energy: -95.327 tors. eta vs tors. theta energy: -123.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1506.803732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.803732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.803732 (E_RNA) where: Base-Base interactions energy: -874.570 where: short stacking energy: -509.466 Base-Backbone interact. energy: -0.210 local terms energy: -632.022978 where: bonds (distance) C4'-P energy: -124.795 bonds (distance) P-C4' energy: -139.816 flat angles C4'-P-C4' energy: -155.578 flat angles P-C4'-P energy: -90.709 tors. eta vs tors. theta energy: -121.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1470.241645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.241645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.241645 (E_RNA) where: Base-Base interactions energy: -870.212 where: short stacking energy: -481.780 Base-Backbone interact. energy: -0.875 local terms energy: -599.153891 where: bonds (distance) C4'-P energy: -126.285 bonds (distance) P-C4' energy: -143.098 flat angles C4'-P-C4' energy: -145.668 flat angles P-C4'-P energy: -93.221 tors. eta vs tors. theta energy: -90.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1344.946530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.946530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.946530 (E_RNA) where: Base-Base interactions energy: -744.672 where: short stacking energy: -389.963 Base-Backbone interact. energy: -1.815 local terms energy: -598.459648 where: bonds (distance) C4'-P energy: -143.420 bonds (distance) P-C4' energy: -132.549 flat angles C4'-P-C4' energy: -141.494 flat angles P-C4'-P energy: -88.257 tors. eta vs tors. theta energy: -92.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -986.479396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.479396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.479396 (E_RNA) where: Base-Base interactions energy: -451.166 where: short stacking energy: -305.019 Base-Backbone interact. energy: -1.278 local terms energy: -534.035020 where: bonds (distance) C4'-P energy: -135.495 bonds (distance) P-C4' energy: -136.169 flat angles C4'-P-C4' energy: -125.946 flat angles P-C4'-P energy: -76.847 tors. eta vs tors. theta energy: -59.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1013.071113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.071113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.071113 (E_RNA) where: Base-Base interactions energy: -521.833 where: short stacking energy: -316.930 Base-Backbone interact. energy: -0.927 local terms energy: -490.311408 where: bonds (distance) C4'-P energy: -108.155 bonds (distance) P-C4' energy: -144.837 flat angles C4'-P-C4' energy: -122.014 flat angles P-C4'-P energy: -75.477 tors. eta vs tors. theta energy: -39.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -775.526139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.526139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.526139 (E_RNA) where: Base-Base interactions energy: -331.522 where: short stacking energy: -229.573 Base-Backbone interact. energy: -1.749 local terms energy: -442.254915 where: bonds (distance) C4'-P energy: -122.886 bonds (distance) P-C4' energy: -129.538 flat angles C4'-P-C4' energy: -120.824 flat angles P-C4'-P energy: -60.851 tors. eta vs tors. theta energy: -8.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -718.872976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.872976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.872976 (E_RNA) where: Base-Base interactions energy: -302.102 where: short stacking energy: -196.498 Base-Backbone interact. energy: -2.515 local terms energy: -414.255774 where: bonds (distance) C4'-P energy: -125.940 bonds (distance) P-C4' energy: -121.455 flat angles C4'-P-C4' energy: -110.760 flat angles P-C4'-P energy: -66.883 tors. eta vs tors. theta energy: 10.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -569.745024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.745024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.745024 (E_RNA) where: Base-Base interactions energy: -179.799 where: short stacking energy: -150.665 Base-Backbone interact. energy: 2.148 local terms energy: -392.093721 where: bonds (distance) C4'-P energy: -155.001 bonds (distance) P-C4' energy: -115.785 flat angles C4'-P-C4' energy: -102.872 flat angles P-C4'-P energy: -52.419 tors. eta vs tors. theta energy: 33.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1806.102253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.102253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.102253 (E_RNA) where: Base-Base interactions energy: -1056.160 where: short stacking energy: -610.480 Base-Backbone interact. energy: -0.039 local terms energy: -749.902415 where: bonds (distance) C4'-P energy: -157.028 bonds (distance) P-C4' energy: -168.403 flat angles C4'-P-C4' energy: -148.329 flat angles P-C4'-P energy: -110.407 tors. eta vs tors. theta energy: -165.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1667.926741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.926741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.926741 (E_RNA) where: Base-Base interactions energy: -997.896 where: short stacking energy: -533.277 Base-Backbone interact. energy: -3.756 local terms energy: -666.274547 where: bonds (distance) C4'-P energy: -145.367 bonds (distance) P-C4' energy: -147.518 flat angles C4'-P-C4' energy: -152.078 flat angles P-C4'-P energy: -96.770 tors. eta vs tors. theta energy: -124.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1517.639713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.639713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.639713 (E_RNA) where: Base-Base interactions energy: -864.249 where: short stacking energy: -501.884 Base-Backbone interact. energy: -2.524 local terms energy: -650.866919 where: bonds (distance) C4'-P energy: -131.073 bonds (distance) P-C4' energy: -150.582 flat angles C4'-P-C4' energy: -145.849 flat angles P-C4'-P energy: -95.968 tors. eta vs tors. theta energy: -127.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1424.338338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.338338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.338338 (E_RNA) where: Base-Base interactions energy: -827.945 where: short stacking energy: -448.773 Base-Backbone interact. energy: -3.167 local terms energy: -593.226105 where: bonds (distance) C4'-P energy: -129.279 bonds (distance) P-C4' energy: -143.227 flat angles C4'-P-C4' energy: -136.425 flat angles P-C4'-P energy: -88.282 tors. eta vs tors. theta energy: -96.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1393.444736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.444736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.444736 (E_RNA) where: Base-Base interactions energy: -804.347 where: short stacking energy: -434.875 Base-Backbone interact. energy: -1.093 local terms energy: -588.004496 where: bonds (distance) C4'-P energy: -111.424 bonds (distance) P-C4' energy: -153.598 flat angles C4'-P-C4' energy: -145.305 flat angles P-C4'-P energy: -81.166 tors. eta vs tors. theta energy: -96.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -997.985826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.985826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.985826 (E_RNA) where: Base-Base interactions energy: -461.392 where: short stacking energy: -307.007 Base-Backbone interact. energy: 4.982 local terms energy: -541.576241 where: bonds (distance) C4'-P energy: -131.206 bonds (distance) P-C4' energy: -150.273 flat angles C4'-P-C4' energy: -143.065 flat angles P-C4'-P energy: -81.915 tors. eta vs tors. theta energy: -35.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1035.076892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.076892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.076892 (E_RNA) where: Base-Base interactions energy: -536.201 where: short stacking energy: -331.901 Base-Backbone interact. energy: -0.691 local terms energy: -498.185058 where: bonds (distance) C4'-P energy: -118.488 bonds (distance) P-C4' energy: -117.583 flat angles C4'-P-C4' energy: -124.740 flat angles P-C4'-P energy: -87.135 tors. eta vs tors. theta energy: -50.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -827.230323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.230323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.230323 (E_RNA) where: Base-Base interactions energy: -358.815 where: short stacking energy: -263.138 Base-Backbone interact. energy: -3.249 local terms energy: -465.166017 where: bonds (distance) C4'-P energy: -119.079 bonds (distance) P-C4' energy: -135.375 flat angles C4'-P-C4' energy: -117.477 flat angles P-C4'-P energy: -65.139 tors. eta vs tors. theta energy: -28.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -719.724994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.724994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.724994 (E_RNA) where: Base-Base interactions energy: -304.810 where: short stacking energy: -191.655 Base-Backbone interact. energy: 2.237 local terms energy: -417.152471 where: bonds (distance) C4'-P energy: -122.130 bonds (distance) P-C4' energy: -109.799 flat angles C4'-P-C4' energy: -107.925 flat angles P-C4'-P energy: -69.974 tors. eta vs tors. theta energy: -7.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -596.816689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.816689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.816689 (E_RNA) where: Base-Base interactions energy: -217.875 where: short stacking energy: -173.837 Base-Backbone interact. energy: -0.473 local terms energy: -378.468039 where: bonds (distance) C4'-P energy: -112.842 bonds (distance) P-C4' energy: -112.499 flat angles C4'-P-C4' energy: -117.706 flat angles P-C4'-P energy: -56.929 tors. eta vs tors. theta energy: 21.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1819.780141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.780141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.780141 (E_RNA) where: Base-Base interactions energy: -1083.590 where: short stacking energy: -619.904 Base-Backbone interact. energy: 1.380 local terms energy: -737.569608 where: bonds (distance) C4'-P energy: -146.925 bonds (distance) P-C4' energy: -151.256 flat angles C4'-P-C4' energy: -160.947 flat angles P-C4'-P energy: -108.296 tors. eta vs tors. theta energy: -170.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1682.284392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.284392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.284392 (E_RNA) where: Base-Base interactions energy: -1006.685 where: short stacking energy: -563.063 Base-Backbone interact. energy: 0.522 local terms energy: -676.120924 where: bonds (distance) C4'-P energy: -129.641 bonds (distance) P-C4' energy: -148.833 flat angles C4'-P-C4' energy: -170.843 flat angles P-C4'-P energy: -98.316 tors. eta vs tors. theta energy: -128.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1478.045705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.045705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.045705 (E_RNA) where: Base-Base interactions energy: -859.503 where: short stacking energy: -501.912 Base-Backbone interact. energy: -1.227 local terms energy: -617.315555 where: bonds (distance) C4'-P energy: -114.236 bonds (distance) P-C4' energy: -146.357 flat angles C4'-P-C4' energy: -145.949 flat angles P-C4'-P energy: -96.163 tors. eta vs tors. theta energy: -114.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1465.713358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.713358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.713358 (E_RNA) where: Base-Base interactions energy: -859.967 where: short stacking energy: -457.476 Base-Backbone interact. energy: -0.886 local terms energy: -604.860168 where: bonds (distance) C4'-P energy: -135.854 bonds (distance) P-C4' energy: -144.945 flat angles C4'-P-C4' energy: -146.022 flat angles P-C4'-P energy: -85.992 tors. eta vs tors. theta energy: -92.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1469.092396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.092396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.092396 (E_RNA) where: Base-Base interactions energy: -876.084 where: short stacking energy: -453.765 Base-Backbone interact. energy: 1.327 local terms energy: -594.334673 where: bonds (distance) C4'-P energy: -134.493 bonds (distance) P-C4' energy: -139.543 flat angles C4'-P-C4' energy: -126.888 flat angles P-C4'-P energy: -97.950 tors. eta vs tors. theta energy: -95.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1150.146708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.146708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.146708 (E_RNA) where: Base-Base interactions energy: -604.699 where: short stacking energy: -358.677 Base-Backbone interact. energy: -0.782 local terms energy: -544.665341 where: bonds (distance) C4'-P energy: -127.427 bonds (distance) P-C4' energy: -134.852 flat angles C4'-P-C4' energy: -133.946 flat angles P-C4'-P energy: -86.590 tors. eta vs tors. theta energy: -61.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -910.311133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.311133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.311133 (E_RNA) where: Base-Base interactions energy: -438.700 where: short stacking energy: -293.847 Base-Backbone interact. energy: 2.597 local terms energy: -474.208979 where: bonds (distance) C4'-P energy: -136.296 bonds (distance) P-C4' energy: -138.288 flat angles C4'-P-C4' energy: -117.830 flat angles P-C4'-P energy: -58.923 tors. eta vs tors. theta energy: -22.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -792.770352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.770352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.770352 (E_RNA) where: Base-Base interactions energy: -347.834 where: short stacking energy: -245.780 Base-Backbone interact. energy: -3.674 local terms energy: -441.262789 where: bonds (distance) C4'-P energy: -128.180 bonds (distance) P-C4' energy: -136.693 flat angles C4'-P-C4' energy: -117.494 flat angles P-C4'-P energy: -61.499 tors. eta vs tors. theta energy: 2.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -708.628214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.628214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.628214 (E_RNA) where: Base-Base interactions energy: -286.344 where: short stacking energy: -208.992 Base-Backbone interact. energy: -0.033 local terms energy: -422.250885 where: bonds (distance) C4'-P energy: -125.382 bonds (distance) P-C4' energy: -126.955 flat angles C4'-P-C4' energy: -103.352 flat angles P-C4'-P energy: -67.925 tors. eta vs tors. theta energy: 1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -577.053003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.053003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.053003 (E_RNA) where: Base-Base interactions energy: -216.357 where: short stacking energy: -169.736 Base-Backbone interact. energy: 2.929 local terms energy: -363.625327 where: bonds (distance) C4'-P energy: -134.761 bonds (distance) P-C4' energy: -114.199 flat angles C4'-P-C4' energy: -105.332 flat angles P-C4'-P energy: -40.891 tors. eta vs tors. theta energy: 31.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1758.726975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.726975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.726975 (E_RNA) where: Base-Base interactions energy: -1039.728 where: short stacking energy: -619.464 Base-Backbone interact. energy: 0.044 local terms energy: -719.043167 where: bonds (distance) C4'-P energy: -141.870 bonds (distance) P-C4' energy: -163.486 flat angles C4'-P-C4' energy: -163.798 flat angles P-C4'-P energy: -93.083 tors. eta vs tors. theta energy: -156.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1670.407412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.407412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.407412 (E_RNA) where: Base-Base interactions energy: -997.580 where: short stacking energy: -547.317 Base-Backbone interact. energy: -3.597 local terms energy: -669.230386 where: bonds (distance) C4'-P energy: -149.273 bonds (distance) P-C4' energy: -148.596 flat angles C4'-P-C4' energy: -148.944 flat angles P-C4'-P energy: -89.413 tors. eta vs tors. theta energy: -133.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1568.418437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.418437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.418437 (E_RNA) where: Base-Base interactions energy: -940.557 where: short stacking energy: -499.533 Base-Backbone interact. energy: -2.722 local terms energy: -625.139486 where: bonds (distance) C4'-P energy: -138.565 bonds (distance) P-C4' energy: -133.195 flat angles C4'-P-C4' energy: -148.409 flat angles P-C4'-P energy: -80.532 tors. eta vs tors. theta energy: -124.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1367.284510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.284510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.284510 (E_RNA) where: Base-Base interactions energy: -769.632 where: short stacking energy: -449.661 Base-Backbone interact. energy: 0.052 local terms energy: -597.704415 where: bonds (distance) C4'-P energy: -135.138 bonds (distance) P-C4' energy: -141.619 flat angles C4'-P-C4' energy: -142.329 flat angles P-C4'-P energy: -88.339 tors. eta vs tors. theta energy: -90.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1508.155058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.155058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.155058 (E_RNA) where: Base-Base interactions energy: -938.998 where: short stacking energy: -453.855 Base-Backbone interact. energy: -2.463 local terms energy: -566.694708 where: bonds (distance) C4'-P energy: -118.633 bonds (distance) P-C4' energy: -130.393 flat angles C4'-P-C4' energy: -147.022 flat angles P-C4'-P energy: -81.659 tors. eta vs tors. theta energy: -88.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1069.190792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.190792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.190792 (E_RNA) where: Base-Base interactions energy: -529.678 where: short stacking energy: -302.432 Base-Backbone interact. energy: -0.183 local terms energy: -539.330107 where: bonds (distance) C4'-P energy: -153.163 bonds (distance) P-C4' energy: -148.348 flat angles C4'-P-C4' energy: -121.999 flat angles P-C4'-P energy: -67.422 tors. eta vs tors. theta energy: -48.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1000.441828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.441828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.441828 (E_RNA) where: Base-Base interactions energy: -510.859 where: short stacking energy: -319.336 Base-Backbone interact. energy: -1.955 local terms energy: -487.628163 where: bonds (distance) C4'-P energy: -113.850 bonds (distance) P-C4' energy: -136.362 flat angles C4'-P-C4' energy: -132.297 flat angles P-C4'-P energy: -75.236 tors. eta vs tors. theta energy: -29.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -750.424556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.424556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.424556 (E_RNA) where: Base-Base interactions energy: -306.793 where: short stacking energy: -220.688 Base-Backbone interact. energy: 3.405 local terms energy: -447.036258 where: bonds (distance) C4'-P energy: -134.979 bonds (distance) P-C4' energy: -131.557 flat angles C4'-P-C4' energy: -94.926 flat angles P-C4'-P energy: -83.932 tors. eta vs tors. theta energy: -1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -701.551782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.551782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.551782 (E_RNA) where: Base-Base interactions energy: -307.415 where: short stacking energy: -196.183 Base-Backbone interact. energy: -0.790 local terms energy: -393.346727 where: bonds (distance) C4'-P energy: -116.464 bonds (distance) P-C4' energy: -121.894 flat angles C4'-P-C4' energy: -84.056 flat angles P-C4'-P energy: -70.911 tors. eta vs tors. theta energy: -0.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -601.097734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.097734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.097734 (E_RNA) where: Base-Base interactions energy: -241.279 where: short stacking energy: -174.144 Base-Backbone interact. energy: -0.825 local terms energy: -358.993621 where: bonds (distance) C4'-P energy: -118.087 bonds (distance) P-C4' energy: -102.737 flat angles C4'-P-C4' energy: -109.384 flat angles P-C4'-P energy: -48.027 tors. eta vs tors. theta energy: 19.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1744.774313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.774313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.774313 (E_RNA) where: Base-Base interactions energy: -1054.293 where: short stacking energy: -581.376 Base-Backbone interact. energy: -0.769 local terms energy: -689.712848 where: bonds (distance) C4'-P energy: -146.439 bonds (distance) P-C4' energy: -157.696 flat angles C4'-P-C4' energy: -142.838 flat angles P-C4'-P energy: -98.910 tors. eta vs tors. theta energy: -143.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1689.989837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.989837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.989837 (E_RNA) where: Base-Base interactions energy: -1023.643 where: short stacking energy: -551.666 Base-Backbone interact. energy: -0.710 local terms energy: -665.637060 where: bonds (distance) C4'-P energy: -139.597 bonds (distance) P-C4' energy: -144.589 flat angles C4'-P-C4' energy: -154.606 flat angles P-C4'-P energy: -93.592 tors. eta vs tors. theta energy: -133.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1644.155682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.155682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.155682 (E_RNA) where: Base-Base interactions energy: -1029.510 where: short stacking energy: -501.606 Base-Backbone interact. energy: 3.509 local terms energy: -618.155270 where: bonds (distance) C4'-P energy: -138.436 bonds (distance) P-C4' energy: -145.854 flat angles C4'-P-C4' energy: -145.311 flat angles P-C4'-P energy: -82.646 tors. eta vs tors. theta energy: -105.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1545.206019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.206019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.206019 (E_RNA) where: Base-Base interactions energy: -948.919 where: short stacking energy: -453.401 Base-Backbone interact. energy: 0.877 local terms energy: -597.163844 where: bonds (distance) C4'-P energy: -146.533 bonds (distance) P-C4' energy: -136.541 flat angles C4'-P-C4' energy: -132.536 flat angles P-C4'-P energy: -89.648 tors. eta vs tors. theta energy: -91.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1231.140964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.140964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.140964 (E_RNA) where: Base-Base interactions energy: -686.397 where: short stacking energy: -369.624 Base-Backbone interact. energy: -1.474 local terms energy: -543.270360 where: bonds (distance) C4'-P energy: -132.462 bonds (distance) P-C4' energy: -139.399 flat angles C4'-P-C4' energy: -142.428 flat angles P-C4'-P energy: -69.607 tors. eta vs tors. theta energy: -59.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1183.847752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.847752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.847752 (E_RNA) where: Base-Base interactions energy: -642.599 where: short stacking energy: -367.785 Base-Backbone interact. energy: -0.386 local terms energy: -540.862178 where: bonds (distance) C4'-P energy: -140.957 bonds (distance) P-C4' energy: -115.614 flat angles C4'-P-C4' energy: -131.799 flat angles P-C4'-P energy: -90.530 tors. eta vs tors. theta energy: -61.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1039.575652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.575652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.575652 (E_RNA) where: Base-Base interactions energy: -533.518 where: short stacking energy: -298.056 Base-Backbone interact. energy: 5.890 local terms energy: -511.947701 where: bonds (distance) C4'-P energy: -119.715 bonds (distance) P-C4' energy: -137.700 flat angles C4'-P-C4' energy: -121.913 flat angles P-C4'-P energy: -85.066 tors. eta vs tors. theta energy: -47.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -760.647199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.647199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.647199 (E_RNA) where: Base-Base interactions energy: -324.084 where: short stacking energy: -238.107 Base-Backbone interact. energy: 2.498 local terms energy: -439.061278 where: bonds (distance) C4'-P energy: -131.426 bonds (distance) P-C4' energy: -138.550 flat angles C4'-P-C4' energy: -101.389 flat angles P-C4'-P energy: -70.233 tors. eta vs tors. theta energy: 2.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -628.773528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.773528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.773528 (E_RNA) where: Base-Base interactions energy: -243.590 where: short stacking energy: -176.575 Base-Backbone interact. energy: 4.793 local terms energy: -389.975985 where: bonds (distance) C4'-P energy: -117.282 bonds (distance) P-C4' energy: -126.867 flat angles C4'-P-C4' energy: -115.844 flat angles P-C4'-P energy: -65.112 tors. eta vs tors. theta energy: 35.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -563.092374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.092374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.092374 (E_RNA) where: Base-Base interactions energy: -211.172 where: short stacking energy: -175.051 Base-Backbone interact. energy: 6.150 local terms energy: -358.069429 where: bonds (distance) C4'-P energy: -112.224 bonds (distance) P-C4' energy: -117.065 flat angles C4'-P-C4' energy: -90.077 flat angles P-C4'-P energy: -59.589 tors. eta vs tors. theta energy: 20.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1729.510051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.510051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.510051 (E_RNA) where: Base-Base interactions energy: -1036.547 where: short stacking energy: -567.794 Base-Backbone interact. energy: 2.240 local terms energy: -695.202503 where: bonds (distance) C4'-P energy: -143.323 bonds (distance) P-C4' energy: -151.685 flat angles C4'-P-C4' energy: -163.115 flat angles P-C4'-P energy: -96.306 tors. eta vs tors. theta energy: -140.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1705.547510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.547510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.547510 (E_RNA) where: Base-Base interactions energy: -1015.683 where: short stacking energy: -561.365 Base-Backbone interact. energy: -1.313 local terms energy: -688.551925 where: bonds (distance) C4'-P energy: -154.807 bonds (distance) P-C4' energy: -139.472 flat angles C4'-P-C4' energy: -160.495 flat angles P-C4'-P energy: -107.364 tors. eta vs tors. theta energy: -126.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1668.555462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.555462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.555462 (E_RNA) where: Base-Base interactions energy: -990.217 where: short stacking energy: -504.436 Base-Backbone interact. energy: -0.936 local terms energy: -677.402738 where: bonds (distance) C4'-P energy: -140.758 bonds (distance) P-C4' energy: -147.458 flat angles C4'-P-C4' energy: -148.740 flat angles P-C4'-P energy: -97.344 tors. eta vs tors. theta energy: -143.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1640.404369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.404369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.404369 (E_RNA) where: Base-Base interactions energy: -1019.633 where: short stacking energy: -497.052 Base-Backbone interact. energy: -1.824 local terms energy: -618.946871 where: bonds (distance) C4'-P energy: -141.665 bonds (distance) P-C4' energy: -121.965 flat angles C4'-P-C4' energy: -140.856 flat angles P-C4'-P energy: -89.111 tors. eta vs tors. theta energy: -125.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1294.024544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.024544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.024544 (E_RNA) where: Base-Base interactions energy: -744.420 where: short stacking energy: -438.725 Base-Backbone interact. energy: -1.341 local terms energy: -548.263236 where: bonds (distance) C4'-P energy: -144.784 bonds (distance) P-C4' energy: -115.277 flat angles C4'-P-C4' energy: -122.238 flat angles P-C4'-P energy: -79.025 tors. eta vs tors. theta energy: -86.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1226.655545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.655545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.655545 (E_RNA) where: Base-Base interactions energy: -687.584 where: short stacking energy: -394.355 Base-Backbone interact. energy: 0.460 local terms energy: -540.026821 where: bonds (distance) C4'-P energy: -105.176 bonds (distance) P-C4' energy: -139.854 flat angles C4'-P-C4' energy: -128.761 flat angles P-C4'-P energy: -72.243 tors. eta vs tors. theta energy: -93.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.495 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1024.174251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.174251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.174251 (E_RNA) where: Base-Base interactions energy: -513.747 where: short stacking energy: -282.810 Base-Backbone interact. energy: 1.680 local terms energy: -512.107174 where: bonds (distance) C4'-P energy: -120.746 bonds (distance) P-C4' energy: -143.139 flat angles C4'-P-C4' energy: -122.658 flat angles P-C4'-P energy: -81.806 tors. eta vs tors. theta energy: -43.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -745.803802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.803802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.803802 (E_RNA) where: Base-Base interactions energy: -317.079 where: short stacking energy: -229.004 Base-Backbone interact. energy: 0.545 local terms energy: -429.269751 where: bonds (distance) C4'-P energy: -119.161 bonds (distance) P-C4' energy: -118.226 flat angles C4'-P-C4' energy: -99.028 flat angles P-C4'-P energy: -82.878 tors. eta vs tors. theta energy: -9.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -733.971995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.971995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.971995 (E_RNA) where: Base-Base interactions energy: -321.072 where: short stacking energy: -200.713 Base-Backbone interact. energy: -1.787 local terms energy: -411.112487 where: bonds (distance) C4'-P energy: -115.270 bonds (distance) P-C4' energy: -118.100 flat angles C4'-P-C4' energy: -113.284 flat angles P-C4'-P energy: -67.935 tors. eta vs tors. theta energy: 3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -603.014628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.014628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.014628 (E_RNA) where: Base-Base interactions energy: -245.890 where: short stacking energy: -198.567 Base-Backbone interact. energy: 5.387 local terms energy: -362.510997 where: bonds (distance) C4'-P energy: -113.334 bonds (distance) P-C4' energy: -118.083 flat angles C4'-P-C4' energy: -102.758 flat angles P-C4'-P energy: -39.066 tors. eta vs tors. theta energy: 10.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1795.590276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.590276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.590276 (E_RNA) where: Base-Base interactions energy: -1083.021 where: short stacking energy: -560.712 Base-Backbone interact. energy: -3.130 local terms energy: -709.439374 where: bonds (distance) C4'-P energy: -152.729 bonds (distance) P-C4' energy: -146.330 flat angles C4'-P-C4' energy: -169.784 flat angles P-C4'-P energy: -90.161 tors. eta vs tors. theta energy: -150.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1750.564487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.564487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.564487 (E_RNA) where: Base-Base interactions energy: -1058.144 where: short stacking energy: -556.641 Base-Backbone interact. energy: -1.469 local terms energy: -690.951948 where: bonds (distance) C4'-P energy: -145.858 bonds (distance) P-C4' energy: -151.766 flat angles C4'-P-C4' energy: -155.674 flat angles P-C4'-P energy: -87.058 tors. eta vs tors. theta energy: -150.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1703.105627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.105627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.105627 (E_RNA) where: Base-Base interactions energy: -1028.915 where: short stacking energy: -511.942 Base-Backbone interact. energy: -2.409 local terms energy: -671.781785 where: bonds (distance) C4'-P energy: -146.061 bonds (distance) P-C4' energy: -146.626 flat angles C4'-P-C4' energy: -147.206 flat angles P-C4'-P energy: -109.506 tors. eta vs tors. theta energy: -122.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1634.828656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.828656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.828656 (E_RNA) where: Base-Base interactions energy: -1030.015 where: short stacking energy: -487.041 Base-Backbone interact. energy: -3.027 local terms energy: -601.786841 where: bonds (distance) C4'-P energy: -125.418 bonds (distance) P-C4' energy: -135.404 flat angles C4'-P-C4' energy: -141.511 flat angles P-C4'-P energy: -106.202 tors. eta vs tors. theta energy: -93.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1277.593010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.593010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.593010 (E_RNA) where: Base-Base interactions energy: -692.427 where: short stacking energy: -423.560 Base-Backbone interact. energy: -2.402 local terms energy: -582.763936 where: bonds (distance) C4'-P energy: -116.197 bonds (distance) P-C4' energy: -146.030 flat angles C4'-P-C4' energy: -145.511 flat angles P-C4'-P energy: -97.358 tors. eta vs tors. theta energy: -77.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1210.730951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.730951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.730951 (E_RNA) where: Base-Base interactions energy: -678.861 where: short stacking energy: -362.417 Base-Backbone interact. energy: 4.204 local terms energy: -536.074767 where: bonds (distance) C4'-P energy: -114.513 bonds (distance) P-C4' energy: -147.312 flat angles C4'-P-C4' energy: -134.985 flat angles P-C4'-P energy: -84.730 tors. eta vs tors. theta energy: -54.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -954.936328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.936328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.936328 (E_RNA) where: Base-Base interactions energy: -455.135 where: short stacking energy: -304.506 Base-Backbone interact. energy: 2.739 local terms energy: -502.540262 where: bonds (distance) C4'-P energy: -114.509 bonds (distance) P-C4' energy: -125.586 flat angles C4'-P-C4' energy: -132.165 flat angles P-C4'-P energy: -78.715 tors. eta vs tors. theta energy: -51.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -813.880136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.880136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.880136 (E_RNA) where: Base-Base interactions energy: -361.856 where: short stacking energy: -223.536 Base-Backbone interact. energy: -1.311 local terms energy: -450.713225 where: bonds (distance) C4'-P energy: -118.246 bonds (distance) P-C4' energy: -139.363 flat angles C4'-P-C4' energy: -118.913 flat angles P-C4'-P energy: -78.810 tors. eta vs tors. theta energy: 4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -704.712785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.712785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.712785 (E_RNA) where: Base-Base interactions energy: -292.820 where: short stacking energy: -192.854 Base-Backbone interact. energy: 0.392 local terms energy: -412.284535 where: bonds (distance) C4'-P energy: -116.778 bonds (distance) P-C4' energy: -140.571 flat angles C4'-P-C4' energy: -114.749 flat angles P-C4'-P energy: -58.669 tors. eta vs tors. theta energy: 18.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -645.250585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.250585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.250585 (E_RNA) where: Base-Base interactions energy: -255.663 where: short stacking energy: -193.425 Base-Backbone interact. energy: 4.216 local terms energy: -393.803734 where: bonds (distance) C4'-P energy: -98.240 bonds (distance) P-C4' energy: -131.617 flat angles C4'-P-C4' energy: -112.068 flat angles P-C4'-P energy: -58.210 tors. eta vs tors. theta energy: 6.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1878.487166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.487166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.487166 (E_RNA) where: Base-Base interactions energy: -1127.293 where: short stacking energy: -619.684 Base-Backbone interact. energy: -3.734 local terms energy: -747.460071 where: bonds (distance) C4'-P energy: -143.255 bonds (distance) P-C4' energy: -150.602 flat angles C4'-P-C4' energy: -172.714 flat angles P-C4'-P energy: -103.099 tors. eta vs tors. theta energy: -177.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1773.745044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.745044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.745044 (E_RNA) where: Base-Base interactions energy: -1070.129 where: short stacking energy: -579.801 Base-Backbone interact. energy: -2.280 local terms energy: -701.336115 where: bonds (distance) C4'-P energy: -135.299 bonds (distance) P-C4' energy: -162.954 flat angles C4'-P-C4' energy: -144.621 flat angles P-C4'-P energy: -103.140 tors. eta vs tors. theta energy: -155.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1742.020405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.020405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.020405 (E_RNA) where: Base-Base interactions energy: -1095.994 where: short stacking energy: -519.416 Base-Backbone interact. energy: -3.317 local terms energy: -642.709920 where: bonds (distance) C4'-P energy: -142.494 bonds (distance) P-C4' energy: -145.789 flat angles C4'-P-C4' energy: -141.673 flat angles P-C4'-P energy: -77.608 tors. eta vs tors. theta energy: -135.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1571.744708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.744708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.744708 (E_RNA) where: Base-Base interactions energy: -943.126 where: short stacking energy: -464.622 Base-Backbone interact. energy: -1.637 local terms energy: -626.981775 where: bonds (distance) C4'-P energy: -128.763 bonds (distance) P-C4' energy: -149.572 flat angles C4'-P-C4' energy: -144.054 flat angles P-C4'-P energy: -104.711 tors. eta vs tors. theta energy: -99.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1256.720530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.720530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.720530 (E_RNA) where: Base-Base interactions energy: -689.857 where: short stacking energy: -421.593 Base-Backbone interact. energy: -0.102 local terms energy: -566.760854 where: bonds (distance) C4'-P energy: -126.598 bonds (distance) P-C4' energy: -135.953 flat angles C4'-P-C4' energy: -151.076 flat angles P-C4'-P energy: -78.216 tors. eta vs tors. theta energy: -74.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1271.101825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.101825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.101825 (E_RNA) where: Base-Base interactions energy: -728.845 where: short stacking energy: -393.793 Base-Backbone interact. energy: -0.956 local terms energy: -541.300624 where: bonds (distance) C4'-P energy: -139.952 bonds (distance) P-C4' energy: -133.695 flat angles C4'-P-C4' energy: -135.030 flat angles P-C4'-P energy: -65.528 tors. eta vs tors. theta energy: -67.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -949.477543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.477543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.477543 (E_RNA) where: Base-Base interactions energy: -468.625 where: short stacking energy: -308.528 Base-Backbone interact. energy: 5.233 local terms energy: -486.085615 where: bonds (distance) C4'-P energy: -128.486 bonds (distance) P-C4' energy: -132.474 flat angles C4'-P-C4' energy: -136.106 flat angles P-C4'-P energy: -55.267 tors. eta vs tors. theta energy: -33.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -835.747423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.747423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.747423 (E_RNA) where: Base-Base interactions energy: -384.292 where: short stacking energy: -247.794 Base-Backbone interact. energy: 6.639 local terms energy: -458.093675 where: bonds (distance) C4'-P energy: -127.103 bonds (distance) P-C4' energy: -123.334 flat angles C4'-P-C4' energy: -119.319 flat angles P-C4'-P energy: -70.364 tors. eta vs tors. theta energy: -17.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -722.107731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.107731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.107731 (E_RNA) where: Base-Base interactions energy: -295.330 where: short stacking energy: -199.753 Base-Backbone interact. energy: 0.093 local terms energy: -426.870559 where: bonds (distance) C4'-P energy: -118.732 bonds (distance) P-C4' energy: -130.874 flat angles C4'-P-C4' energy: -115.515 flat angles P-C4'-P energy: -63.491 tors. eta vs tors. theta energy: 1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -590.725486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.725486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.725486 (E_RNA) where: Base-Base interactions energy: -222.059 where: short stacking energy: -163.443 Base-Backbone interact. energy: 4.906 local terms energy: -373.571824 where: bonds (distance) C4'-P energy: -107.818 bonds (distance) P-C4' energy: -104.472 flat angles C4'-P-C4' energy: -105.267 flat angles P-C4'-P energy: -75.463 tors. eta vs tors. theta energy: 19.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1892.404985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.404985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.404985 (E_RNA) where: Base-Base interactions energy: -1141.469 where: short stacking energy: -608.369 Base-Backbone interact. energy: -2.388 local terms energy: -748.548677 where: bonds (distance) C4'-P energy: -141.981 bonds (distance) P-C4' energy: -155.193 flat angles C4'-P-C4' energy: -170.287 flat angles P-C4'-P energy: -104.364 tors. eta vs tors. theta energy: -176.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1747.096413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.096413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.096413 (E_RNA) where: Base-Base interactions energy: -1068.625 where: short stacking energy: -565.946 Base-Backbone interact. energy: -0.811 local terms energy: -677.661254 where: bonds (distance) C4'-P energy: -142.430 bonds (distance) P-C4' energy: -156.567 flat angles C4'-P-C4' energy: -146.565 flat angles P-C4'-P energy: -107.195 tors. eta vs tors. theta energy: -124.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1758.497689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.497689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.497689 (E_RNA) where: Base-Base interactions energy: -1102.003 where: short stacking energy: -507.638 Base-Backbone interact. energy: -2.075 local terms energy: -654.419122 where: bonds (distance) C4'-P energy: -144.561 bonds (distance) P-C4' energy: -148.434 flat angles C4'-P-C4' energy: -140.583 flat angles P-C4'-P energy: -91.279 tors. eta vs tors. theta energy: -129.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1578.031287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.031287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.031287 (E_RNA) where: Base-Base interactions energy: -950.855 where: short stacking energy: -462.522 Base-Backbone interact. energy: 0.543 local terms energy: -627.719479 where: bonds (distance) C4'-P energy: -138.788 bonds (distance) P-C4' energy: -128.943 flat angles C4'-P-C4' energy: -158.106 flat angles P-C4'-P energy: -83.639 tors. eta vs tors. theta energy: -118.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1297.883318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.883318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.883318 (E_RNA) where: Base-Base interactions energy: -743.106 where: short stacking energy: -441.772 Base-Backbone interact. energy: 2.236 local terms energy: -557.013658 where: bonds (distance) C4'-P energy: -141.784 bonds (distance) P-C4' energy: -124.449 flat angles C4'-P-C4' energy: -136.437 flat angles P-C4'-P energy: -62.020 tors. eta vs tors. theta energy: -92.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1338.578777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.578777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.578777 (E_RNA) where: Base-Base interactions energy: -770.530 where: short stacking energy: -406.659 Base-Backbone interact. energy: -0.332 local terms energy: -567.716519 where: bonds (distance) C4'-P energy: -142.382 bonds (distance) P-C4' energy: -132.505 flat angles C4'-P-C4' energy: -130.517 flat angles P-C4'-P energy: -87.098 tors. eta vs tors. theta energy: -75.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -931.753211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.753211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.753211 (E_RNA) where: Base-Base interactions energy: -485.942 where: short stacking energy: -290.295 Base-Backbone interact. energy: 1.232 local terms energy: -447.043074 where: bonds (distance) C4'-P energy: -117.596 bonds (distance) P-C4' energy: -127.824 flat angles C4'-P-C4' energy: -108.861 flat angles P-C4'-P energy: -47.996 tors. eta vs tors. theta energy: -44.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -882.118287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.118287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.118287 (E_RNA) where: Base-Base interactions energy: -434.644 where: short stacking energy: -282.330 Base-Backbone interact. energy: 4.117 local terms energy: -451.590663 where: bonds (distance) C4'-P energy: -132.351 bonds (distance) P-C4' energy: -109.264 flat angles C4'-P-C4' energy: -109.386 flat angles P-C4'-P energy: -79.652 tors. eta vs tors. theta energy: -20.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -676.433796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.433796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.433796 (E_RNA) where: Base-Base interactions energy: -301.225 where: short stacking energy: -200.681 Base-Backbone interact. energy: 4.270 local terms energy: -379.478646 where: bonds (distance) C4'-P energy: -126.457 bonds (distance) P-C4' energy: -122.640 flat angles C4'-P-C4' energy: -81.663 flat angles P-C4'-P energy: -53.399 tors. eta vs tors. theta energy: 4.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -604.950224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.950224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.950224 (E_RNA) where: Base-Base interactions energy: -212.553 where: short stacking energy: -174.613 Base-Backbone interact. energy: -2.688 local terms energy: -389.708776 where: bonds (distance) C4'-P energy: -104.807 bonds (distance) P-C4' energy: -135.473 flat angles C4'-P-C4' energy: -111.360 flat angles P-C4'-P energy: -58.238 tors. eta vs tors. theta energy: 20.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1911.165833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.165833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.165833 (E_RNA) where: Base-Base interactions energy: -1186.019 where: short stacking energy: -593.085 Base-Backbone interact. energy: -1.699 local terms energy: -723.447384 where: bonds (distance) C4'-P energy: -153.184 bonds (distance) P-C4' energy: -154.622 flat angles C4'-P-C4' energy: -159.031 flat angles P-C4'-P energy: -94.708 tors. eta vs tors. theta energy: -161.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1778.905441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.905441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.905441 (E_RNA) where: Base-Base interactions energy: -1097.398 where: short stacking energy: -580.281 Base-Backbone interact. energy: 2.087 local terms energy: -683.594069 where: bonds (distance) C4'-P energy: -130.248 bonds (distance) P-C4' energy: -159.647 flat angles C4'-P-C4' energy: -153.758 flat angles P-C4'-P energy: -101.990 tors. eta vs tors. theta energy: -137.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1812.571813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.571813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.571813 (E_RNA) where: Base-Base interactions energy: -1156.623 where: short stacking energy: -531.029 Base-Backbone interact. energy: -0.351 local terms energy: -655.597562 where: bonds (distance) C4'-P energy: -130.883 bonds (distance) P-C4' energy: -159.600 flat angles C4'-P-C4' energy: -151.509 flat angles P-C4'-P energy: -90.056 tors. eta vs tors. theta energy: -123.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1577.142782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.142782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.142782 (E_RNA) where: Base-Base interactions energy: -954.468 where: short stacking energy: -484.479 Base-Backbone interact. energy: -2.554 local terms energy: -620.121377 where: bonds (distance) C4'-P energy: -134.534 bonds (distance) P-C4' energy: -147.902 flat angles C4'-P-C4' energy: -139.000 flat angles P-C4'-P energy: -83.848 tors. eta vs tors. theta energy: -114.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1467.303387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.303387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.303387 (E_RNA) where: Base-Base interactions energy: -869.419 where: short stacking energy: -472.875 Base-Backbone interact. energy: -3.428 local terms energy: -594.456740 where: bonds (distance) C4'-P energy: -140.948 bonds (distance) P-C4' energy: -130.926 flat angles C4'-P-C4' energy: -126.566 flat angles P-C4'-P energy: -82.893 tors. eta vs tors. theta energy: -113.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1164.871771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.871771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.871771 (E_RNA) where: Base-Base interactions energy: -637.830 where: short stacking energy: -352.537 Base-Backbone interact. energy: -3.631 local terms energy: -523.411248 where: bonds (distance) C4'-P energy: -126.926 bonds (distance) P-C4' energy: -145.051 flat angles C4'-P-C4' energy: -132.421 flat angles P-C4'-P energy: -62.135 tors. eta vs tors. theta energy: -56.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -973.011965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.011965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.011965 (E_RNA) where: Base-Base interactions energy: -466.159 where: short stacking energy: -322.939 Base-Backbone interact. energy: 1.207 local terms energy: -508.060034 where: bonds (distance) C4'-P energy: -123.516 bonds (distance) P-C4' energy: -132.617 flat angles C4'-P-C4' energy: -133.781 flat angles P-C4'-P energy: -64.060 tors. eta vs tors. theta energy: -54.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -867.442038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.442038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.442038 (E_RNA) where: Base-Base interactions energy: -446.262 where: short stacking energy: -260.450 Base-Backbone interact. energy: -1.163 local terms energy: -420.017112 where: bonds (distance) C4'-P energy: -128.958 bonds (distance) P-C4' energy: -113.746 flat angles C4'-P-C4' energy: -109.896 flat angles P-C4'-P energy: -69.175 tors. eta vs tors. theta energy: 1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -683.019909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.019909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.019909 (E_RNA) where: Base-Base interactions energy: -267.211 where: short stacking energy: -187.227 Base-Backbone interact. energy: -1.852 local terms energy: -413.957376 where: bonds (distance) C4'-P energy: -115.322 bonds (distance) P-C4' energy: -130.229 flat angles C4'-P-C4' energy: -114.699 flat angles P-C4'-P energy: -61.973 tors. eta vs tors. theta energy: 8.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -568.782198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.782198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.782198 (E_RNA) where: Base-Base interactions energy: -192.603 where: short stacking energy: -166.781 Base-Backbone interact. energy: -1.281 local terms energy: -374.898113 where: bonds (distance) C4'-P energy: -114.826 bonds (distance) P-C4' energy: -116.874 flat angles C4'-P-C4' energy: -91.640 flat angles P-C4'-P energy: -80.012 tors. eta vs tors. theta energy: 28.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1993.239192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.239192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.239192 (E_RNA) where: Base-Base interactions energy: -1229.792 where: short stacking energy: -641.223 Base-Backbone interact. energy: -3.640 local terms energy: -759.807199 where: bonds (distance) C4'-P energy: -157.465 bonds (distance) P-C4' energy: -158.055 flat angles C4'-P-C4' energy: -162.143 flat angles P-C4'-P energy: -110.952 tors. eta vs tors. theta energy: -171.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1971.873565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.873565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.873565 (E_RNA) where: Base-Base interactions energy: -1278.509 where: short stacking energy: -606.843 Base-Backbone interact. energy: 3.102 local terms energy: -696.466342 where: bonds (distance) C4'-P energy: -156.715 bonds (distance) P-C4' energy: -136.719 flat angles C4'-P-C4' energy: -151.932 flat angles P-C4'-P energy: -100.950 tors. eta vs tors. theta energy: -150.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1720.264459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.264459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.264459 (E_RNA) where: Base-Base interactions energy: -1053.028 where: short stacking energy: -531.522 Base-Backbone interact. energy: -1.920 local terms energy: -665.316424 where: bonds (distance) C4'-P energy: -141.955 bonds (distance) P-C4' energy: -152.296 flat angles C4'-P-C4' energy: -148.989 flat angles P-C4'-P energy: -88.883 tors. eta vs tors. theta energy: -133.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1599.959799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.959799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.959799 (E_RNA) where: Base-Base interactions energy: -992.457 where: short stacking energy: -481.565 Base-Backbone interact. energy: 1.582 local terms energy: -609.085388 where: bonds (distance) C4'-P energy: -127.405 bonds (distance) P-C4' energy: -129.028 flat angles C4'-P-C4' energy: -149.698 flat angles P-C4'-P energy: -91.550 tors. eta vs tors. theta energy: -111.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1489.620041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.620041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.620041 (E_RNA) where: Base-Base interactions energy: -888.849 where: short stacking energy: -424.127 Base-Backbone interact. energy: -2.527 local terms energy: -598.243928 where: bonds (distance) C4'-P energy: -125.743 bonds (distance) P-C4' energy: -144.061 flat angles C4'-P-C4' energy: -128.738 flat angles P-C4'-P energy: -99.203 tors. eta vs tors. theta energy: -100.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1158.823586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.823586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.823586 (E_RNA) where: Base-Base interactions energy: -648.171 where: short stacking energy: -358.509 Base-Backbone interact. energy: 0.912 local terms energy: -511.564846 where: bonds (distance) C4'-P energy: -127.425 bonds (distance) P-C4' energy: -136.344 flat angles C4'-P-C4' energy: -119.216 flat angles P-C4'-P energy: -73.220 tors. eta vs tors. theta energy: -55.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -909.951303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.951303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.951303 (E_RNA) where: Base-Base interactions energy: -432.636 where: short stacking energy: -280.984 Base-Backbone interact. energy: 0.321 local terms energy: -477.636241 where: bonds (distance) C4'-P energy: -121.425 bonds (distance) P-C4' energy: -138.288 flat angles C4'-P-C4' energy: -133.404 flat angles P-C4'-P energy: -60.694 tors. eta vs tors. theta energy: -23.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -772.678734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.678734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.678734 (E_RNA) where: Base-Base interactions energy: -331.235 where: short stacking energy: -211.387 Base-Backbone interact. energy: 6.251 local terms energy: -447.694211 where: bonds (distance) C4'-P energy: -125.158 bonds (distance) P-C4' energy: -138.718 flat angles C4'-P-C4' energy: -119.710 flat angles P-C4'-P energy: -62.608 tors. eta vs tors. theta energy: -1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -707.191379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.191379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.191379 (E_RNA) where: Base-Base interactions energy: -313.983 where: short stacking energy: -215.540 Base-Backbone interact. energy: -0.733 local terms energy: -392.475421 where: bonds (distance) C4'-P energy: -105.016 bonds (distance) P-C4' energy: -130.534 flat angles C4'-P-C4' energy: -109.437 flat angles P-C4'-P energy: -52.366 tors. eta vs tors. theta energy: 4.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -587.713821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.713821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.713821 (E_RNA) where: Base-Base interactions energy: -206.897 where: short stacking energy: -176.095 Base-Backbone interact. energy: 3.313 local terms energy: -384.129907 where: bonds (distance) C4'-P energy: -111.334 bonds (distance) P-C4' energy: -138.122 flat angles C4'-P-C4' energy: -89.945 flat angles P-C4'-P energy: -55.822 tors. eta vs tors. theta energy: 11.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2063.897109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.897109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.897109 (E_RNA) where: Base-Base interactions energy: -1334.251 where: short stacking energy: -606.609 Base-Backbone interact. energy: -4.263 local terms energy: -725.383458 where: bonds (distance) C4'-P energy: -145.329 bonds (distance) P-C4' energy: -154.914 flat angles C4'-P-C4' energy: -164.860 flat angles P-C4'-P energy: -96.778 tors. eta vs tors. theta energy: -163.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1912.221141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.221141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.221141 (E_RNA) where: Base-Base interactions energy: -1156.865 where: short stacking energy: -621.098 Base-Backbone interact. energy: -3.101 local terms energy: -752.255786 where: bonds (distance) C4'-P energy: -148.546 bonds (distance) P-C4' energy: -143.625 flat angles C4'-P-C4' energy: -177.691 flat angles P-C4'-P energy: -109.591 tors. eta vs tors. theta energy: -172.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1705.331234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.331234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.331234 (E_RNA) where: Base-Base interactions energy: -1051.800 where: short stacking energy: -556.002 Base-Backbone interact. energy: -1.317 local terms energy: -652.213474 where: bonds (distance) C4'-P energy: -148.364 bonds (distance) P-C4' energy: -128.886 flat angles C4'-P-C4' energy: -146.474 flat angles P-C4'-P energy: -81.976 tors. eta vs tors. theta energy: -146.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1683.919155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.919155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.919155 (E_RNA) where: Base-Base interactions energy: -1037.110 where: short stacking energy: -505.472 Base-Backbone interact. energy: -0.355 local terms energy: -646.454411 where: bonds (distance) C4'-P energy: -137.200 bonds (distance) P-C4' energy: -151.776 flat angles C4'-P-C4' energy: -159.422 flat angles P-C4'-P energy: -88.416 tors. eta vs tors. theta energy: -109.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1470.872063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.872063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.872063 (E_RNA) where: Base-Base interactions energy: -831.888 where: short stacking energy: -402.451 Base-Backbone interact. energy: -1.879 local terms energy: -637.105005 where: bonds (distance) C4'-P energy: -128.239 bonds (distance) P-C4' energy: -152.787 flat angles C4'-P-C4' energy: -143.327 flat angles P-C4'-P energy: -116.035 tors. eta vs tors. theta energy: -96.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1212.367326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.367326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.367326 (E_RNA) where: Base-Base interactions energy: -690.509 where: short stacking energy: -357.798 Base-Backbone interact. energy: -2.708 local terms energy: -519.149988 where: bonds (distance) C4'-P energy: -111.735 bonds (distance) P-C4' energy: -134.130 flat angles C4'-P-C4' energy: -130.019 flat angles P-C4'-P energy: -81.595 tors. eta vs tors. theta energy: -61.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -917.718571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.718571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.718571 (E_RNA) where: Base-Base interactions energy: -442.247 where: short stacking energy: -260.136 Base-Backbone interact. energy: -1.670 local terms energy: -473.802302 where: bonds (distance) C4'-P energy: -148.804 bonds (distance) P-C4' energy: -132.627 flat angles C4'-P-C4' energy: -99.740 flat angles P-C4'-P energy: -65.878 tors. eta vs tors. theta energy: -26.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -791.585010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.585010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.585010 (E_RNA) where: Base-Base interactions energy: -353.343 where: short stacking energy: -231.005 Base-Backbone interact. energy: 3.566 local terms energy: -441.807848 where: bonds (distance) C4'-P energy: -113.903 bonds (distance) P-C4' energy: -146.294 flat angles C4'-P-C4' energy: -103.936 flat angles P-C4'-P energy: -76.422 tors. eta vs tors. theta energy: -1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -617.135282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.135282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.135282 (E_RNA) where: Base-Base interactions energy: -214.363 where: short stacking energy: -176.484 Base-Backbone interact. energy: -2.005 local terms energy: -400.767678 where: bonds (distance) C4'-P energy: -105.108 bonds (distance) P-C4' energy: -130.907 flat angles C4'-P-C4' energy: -107.875 flat angles P-C4'-P energy: -72.950 tors. eta vs tors. theta energy: 16.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -561.189622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.189622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.189622 (E_RNA) where: Base-Base interactions energy: -181.363 where: short stacking energy: -158.418 Base-Backbone interact. energy: -1.040 local terms energy: -378.786225 where: bonds (distance) C4'-P energy: -116.091 bonds (distance) P-C4' energy: -136.513 flat angles C4'-P-C4' energy: -103.441 flat angles P-C4'-P energy: -54.906 tors. eta vs tors. theta energy: 32.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2055.089098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.089098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.089098 (E_RNA) where: Base-Base interactions energy: -1321.887 where: short stacking energy: -598.180 Base-Backbone interact. energy: -5.208 local terms energy: -727.993904 where: bonds (distance) C4'-P energy: -157.821 bonds (distance) P-C4' energy: -148.433 flat angles C4'-P-C4' energy: -168.690 flat angles P-C4'-P energy: -103.033 tors. eta vs tors. theta energy: -150.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1861.629866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.629866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.629866 (E_RNA) where: Base-Base interactions energy: -1130.609 where: short stacking energy: -609.308 Base-Backbone interact. energy: -4.007 local terms energy: -727.013407 where: bonds (distance) C4'-P energy: -152.843 bonds (distance) P-C4' energy: -143.427 flat angles C4'-P-C4' energy: -158.100 flat angles P-C4'-P energy: -110.135 tors. eta vs tors. theta energy: -162.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1655.165744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.165744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.165744 (E_RNA) where: Base-Base interactions energy: -1033.478 where: short stacking energy: -549.960 Base-Backbone interact. energy: 2.333 local terms energy: -624.020751 where: bonds (distance) C4'-P energy: -142.107 bonds (distance) P-C4' energy: -125.569 flat angles C4'-P-C4' energy: -155.024 flat angles P-C4'-P energy: -78.127 tors. eta vs tors. theta energy: -123.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1607.056836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.056836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.056836 (E_RNA) where: Base-Base interactions energy: -950.982 where: short stacking energy: -478.825 Base-Backbone interact. energy: 0.445 local terms energy: -656.520344 where: bonds (distance) C4'-P energy: -138.537 bonds (distance) P-C4' energy: -134.641 flat angles C4'-P-C4' energy: -150.940 flat angles P-C4'-P energy: -108.174 tors. eta vs tors. theta energy: -124.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1505.318328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.318328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.318328 (E_RNA) where: Base-Base interactions energy: -937.922 where: short stacking energy: -467.384 Base-Backbone interact. energy: -0.218 local terms energy: -567.177555 where: bonds (distance) C4'-P energy: -119.317 bonds (distance) P-C4' energy: -133.557 flat angles C4'-P-C4' energy: -140.844 flat angles P-C4'-P energy: -78.541 tors. eta vs tors. theta energy: -94.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1291.300328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.300328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.300328 (E_RNA) where: Base-Base interactions energy: -743.367 where: short stacking energy: -411.063 Base-Backbone interact. energy: -2.498 local terms energy: -545.435681 where: bonds (distance) C4'-P energy: -117.018 bonds (distance) P-C4' energy: -144.248 flat angles C4'-P-C4' energy: -131.488 flat angles P-C4'-P energy: -84.680 tors. eta vs tors. theta energy: -68.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1008.240278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.240278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.240278 (E_RNA) where: Base-Base interactions energy: -524.918 where: short stacking energy: -276.778 Base-Backbone interact. energy: -3.709 local terms energy: -479.612608 where: bonds (distance) C4'-P energy: -123.350 bonds (distance) P-C4' energy: -122.133 flat angles C4'-P-C4' energy: -134.143 flat angles P-C4'-P energy: -81.268 tors. eta vs tors. theta energy: -18.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -806.245350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.245350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.245350 (E_RNA) where: Base-Base interactions energy: -361.048 where: short stacking energy: -243.094 Base-Backbone interact. energy: 1.140 local terms energy: -446.337171 where: bonds (distance) C4'-P energy: -137.975 bonds (distance) P-C4' energy: -120.381 flat angles C4'-P-C4' energy: -118.287 flat angles P-C4'-P energy: -62.034 tors. eta vs tors. theta energy: -7.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -648.570932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.570932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.570932 (E_RNA) where: Base-Base interactions energy: -248.632 where: short stacking energy: -201.373 Base-Backbone interact. energy: 3.756 local terms energy: -403.695016 where: bonds (distance) C4'-P energy: -133.481 bonds (distance) P-C4' energy: -127.185 flat angles C4'-P-C4' energy: -109.662 flat angles P-C4'-P energy: -55.746 tors. eta vs tors. theta energy: 22.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -555.055133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.055133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.055133 (E_RNA) where: Base-Base interactions energy: -186.968 where: short stacking energy: -172.912 Base-Backbone interact. energy: -1.246 local terms energy: -366.841731 where: bonds (distance) C4'-P energy: -108.144 bonds (distance) P-C4' energy: -120.504 flat angles C4'-P-C4' energy: -109.353 flat angles P-C4'-P energy: -61.482 tors. eta vs tors. theta energy: 32.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2074.645359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.645359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.645359 (E_RNA) where: Base-Base interactions energy: -1351.217 where: short stacking energy: -581.743 Base-Backbone interact. energy: -2.392 local terms energy: -721.037136 where: bonds (distance) C4'-P energy: -151.641 bonds (distance) P-C4' energy: -161.334 flat angles C4'-P-C4' energy: -162.011 flat angles P-C4'-P energy: -97.687 tors. eta vs tors. theta energy: -148.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1862.456915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.456915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.456915 (E_RNA) where: Base-Base interactions energy: -1171.645 where: short stacking energy: -577.836 Base-Backbone interact. energy: -3.979 local terms energy: -686.832722 where: bonds (distance) C4'-P energy: -137.650 bonds (distance) P-C4' energy: -147.887 flat angles C4'-P-C4' energy: -158.887 flat angles P-C4'-P energy: -95.018 tors. eta vs tors. theta energy: -147.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1738.229902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.229902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.229902 (E_RNA) where: Base-Base interactions energy: -1061.314 where: short stacking energy: -561.594 Base-Backbone interact. energy: -2.200 local terms energy: -674.715694 where: bonds (distance) C4'-P energy: -135.086 bonds (distance) P-C4' energy: -143.476 flat angles C4'-P-C4' energy: -151.947 flat angles P-C4'-P energy: -99.351 tors. eta vs tors. theta energy: -144.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1518.174620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.174620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.174620 (E_RNA) where: Base-Base interactions energy: -903.698 where: short stacking energy: -473.673 Base-Backbone interact. energy: -0.152 local terms energy: -614.324567 where: bonds (distance) C4'-P energy: -124.447 bonds (distance) P-C4' energy: -137.905 flat angles C4'-P-C4' energy: -143.831 flat angles P-C4'-P energy: -84.178 tors. eta vs tors. theta energy: -123.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1621.463098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.463098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.463098 (E_RNA) where: Base-Base interactions energy: -1024.292 where: short stacking energy: -456.966 Base-Backbone interact. energy: -1.294 local terms energy: -595.877199 where: bonds (distance) C4'-P energy: -119.536 bonds (distance) P-C4' energy: -136.520 flat angles C4'-P-C4' energy: -136.990 flat angles P-C4'-P energy: -88.152 tors. eta vs tors. theta energy: -114.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1276.410205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.410205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.410205 (E_RNA) where: Base-Base interactions energy: -742.526 where: short stacking energy: -389.945 Base-Backbone interact. energy: -2.440 local terms energy: -531.444174 where: bonds (distance) C4'-P energy: -136.380 bonds (distance) P-C4' energy: -131.549 flat angles C4'-P-C4' energy: -132.781 flat angles P-C4'-P energy: -55.472 tors. eta vs tors. theta energy: -75.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -994.931746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.931746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.931746 (E_RNA) where: Base-Base interactions energy: -524.996 where: short stacking energy: -304.407 Base-Backbone interact. energy: 3.889 local terms energy: -473.825053 where: bonds (distance) C4'-P energy: -109.061 bonds (distance) P-C4' energy: -134.154 flat angles C4'-P-C4' energy: -123.095 flat angles P-C4'-P energy: -70.573 tors. eta vs tors. theta energy: -36.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -841.874602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.874602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.874602 (E_RNA) where: Base-Base interactions energy: -401.864 where: short stacking energy: -238.650 Base-Backbone interact. energy: 0.641 local terms energy: -440.651508 where: bonds (distance) C4'-P energy: -129.788 bonds (distance) P-C4' energy: -123.855 flat angles C4'-P-C4' energy: -113.272 flat angles P-C4'-P energy: -72.405 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -683.481059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.481059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.481059 (E_RNA) where: Base-Base interactions energy: -292.435 where: short stacking energy: -178.201 Base-Backbone interact. energy: 1.115 local terms energy: -392.161132 where: bonds (distance) C4'-P energy: -124.843 bonds (distance) P-C4' energy: -131.474 flat angles C4'-P-C4' energy: -114.303 flat angles P-C4'-P energy: -51.325 tors. eta vs tors. theta energy: 29.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -591.753304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.753304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.753304 (E_RNA) where: Base-Base interactions energy: -188.528 where: short stacking energy: -167.809 Base-Backbone interact. energy: -0.495 local terms energy: -402.730304 where: bonds (distance) C4'-P energy: -123.652 bonds (distance) P-C4' energy: -136.319 flat angles C4'-P-C4' energy: -85.229 flat angles P-C4'-P energy: -71.021 tors. eta vs tors. theta energy: 13.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2071.724956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.724956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.724956 (E_RNA) where: Base-Base interactions energy: -1359.139 where: short stacking energy: -599.046 Base-Backbone interact. energy: 0.476 local terms energy: -713.061685 where: bonds (distance) C4'-P energy: -149.820 bonds (distance) P-C4' energy: -161.882 flat angles C4'-P-C4' energy: -152.518 flat angles P-C4'-P energy: -100.402 tors. eta vs tors. theta energy: -148.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1892.101324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.101324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.101324 (E_RNA) where: Base-Base interactions energy: -1183.528 where: short stacking energy: -608.559 Base-Backbone interact. energy: -0.621 local terms energy: -707.952570 where: bonds (distance) C4'-P energy: -152.294 bonds (distance) P-C4' energy: -152.282 flat angles C4'-P-C4' energy: -147.621 flat angles P-C4'-P energy: -99.298 tors. eta vs tors. theta energy: -156.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1772.474379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.474379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.474379 (E_RNA) where: Base-Base interactions energy: -1073.631 where: short stacking energy: -581.775 Base-Backbone interact. energy: -0.956 local terms energy: -697.887971 where: bonds (distance) C4'-P energy: -152.105 bonds (distance) P-C4' energy: -144.196 flat angles C4'-P-C4' energy: -137.205 flat angles P-C4'-P energy: -103.163 tors. eta vs tors. theta energy: -161.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1791.335307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.335307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.335307 (E_RNA) where: Base-Base interactions energy: -1146.470 where: short stacking energy: -485.191 Base-Backbone interact. energy: 3.119 local terms energy: -647.984856 where: bonds (distance) C4'-P energy: -150.270 bonds (distance) P-C4' energy: -135.140 flat angles C4'-P-C4' energy: -150.560 flat angles P-C4'-P energy: -88.490 tors. eta vs tors. theta energy: -123.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1426.526084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.526084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.526084 (E_RNA) where: Base-Base interactions energy: -827.024 where: short stacking energy: -429.517 Base-Backbone interact. energy: -1.144 local terms energy: -598.357854 where: bonds (distance) C4'-P energy: -141.767 bonds (distance) P-C4' energy: -141.065 flat angles C4'-P-C4' energy: -131.732 flat angles P-C4'-P energy: -77.373 tors. eta vs tors. theta energy: -106.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1202.337152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.337152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.337152 (E_RNA) where: Base-Base interactions energy: -676.073 where: short stacking energy: -371.009 Base-Backbone interact. energy: 1.228 local terms energy: -527.491962 where: bonds (distance) C4'-P energy: -124.363 bonds (distance) P-C4' energy: -136.608 flat angles C4'-P-C4' energy: -105.615 flat angles P-C4'-P energy: -86.148 tors. eta vs tors. theta energy: -74.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -968.365232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.365232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.365232 (E_RNA) where: Base-Base interactions energy: -463.632 where: short stacking energy: -265.649 Base-Backbone interact. energy: -2.112 local terms energy: -502.621250 where: bonds (distance) C4'-P energy: -108.489 bonds (distance) P-C4' energy: -138.618 flat angles C4'-P-C4' energy: -139.502 flat angles P-C4'-P energy: -87.391 tors. eta vs tors. theta energy: -28.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -962.573898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.573898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.573898 (E_RNA) where: Base-Base interactions energy: -479.203 where: short stacking energy: -273.669 Base-Backbone interact. energy: 1.931 local terms energy: -485.302584 where: bonds (distance) C4'-P energy: -124.779 bonds (distance) P-C4' energy: -146.421 flat angles C4'-P-C4' energy: -105.896 flat angles P-C4'-P energy: -89.043 tors. eta vs tors. theta energy: -19.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -703.707579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.707579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.707579 (E_RNA) where: Base-Base interactions energy: -304.952 where: short stacking energy: -232.871 Base-Backbone interact. energy: 2.700 local terms energy: -401.456021 where: bonds (distance) C4'-P energy: -102.309 bonds (distance) P-C4' energy: -131.679 flat angles C4'-P-C4' energy: -112.164 flat angles P-C4'-P energy: -62.000 tors. eta vs tors. theta energy: 6.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -566.278213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.278213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.278213 (E_RNA) where: Base-Base interactions energy: -211.238 where: short stacking energy: -181.974 Base-Backbone interact. energy: 3.863 local terms energy: -358.903627 where: bonds (distance) C4'-P energy: -113.182 bonds (distance) P-C4' energy: -120.705 flat angles C4'-P-C4' energy: -82.600 flat angles P-C4'-P energy: -78.151 tors. eta vs tors. theta energy: 35.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2109.107338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.107338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.107338 (E_RNA) where: Base-Base interactions energy: -1411.130 where: short stacking energy: -628.383 Base-Backbone interact. energy: 1.824 local terms energy: -699.801217 where: bonds (distance) C4'-P energy: -136.920 bonds (distance) P-C4' energy: -152.960 flat angles C4'-P-C4' energy: -150.872 flat angles P-C4'-P energy: -92.960 tors. eta vs tors. theta energy: -166.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1872.750323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.750323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.750323 (E_RNA) where: Base-Base interactions energy: -1137.773 where: short stacking energy: -592.736 Base-Backbone interact. energy: -3.537 local terms energy: -731.440410 where: bonds (distance) C4'-P energy: -138.110 bonds (distance) P-C4' energy: -150.327 flat angles C4'-P-C4' energy: -171.748 flat angles P-C4'-P energy: -105.603 tors. eta vs tors. theta energy: -165.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1944.451171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.451171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.451171 (E_RNA) where: Base-Base interactions energy: -1266.158 where: short stacking energy: -551.211 Base-Backbone interact. energy: 1.402 local terms energy: -679.694702 where: bonds (distance) C4'-P energy: -128.131 bonds (distance) P-C4' energy: -149.951 flat angles C4'-P-C4' energy: -146.160 flat angles P-C4'-P energy: -109.973 tors. eta vs tors. theta energy: -145.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1698.688365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.688365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.688365 (E_RNA) where: Base-Base interactions energy: -1042.235 where: short stacking energy: -493.712 Base-Backbone interact. energy: -4.707 local terms energy: -651.746102 where: bonds (distance) C4'-P energy: -147.215 bonds (distance) P-C4' energy: -142.829 flat angles C4'-P-C4' energy: -148.354 flat angles P-C4'-P energy: -99.242 tors. eta vs tors. theta energy: -114.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1397.909100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.909100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.909100 (E_RNA) where: Base-Base interactions energy: -818.940 where: short stacking energy: -429.583 Base-Backbone interact. energy: -1.695 local terms energy: -577.273909 where: bonds (distance) C4'-P energy: -149.688 bonds (distance) P-C4' energy: -138.772 flat angles C4'-P-C4' energy: -130.893 flat angles P-C4'-P energy: -75.252 tors. eta vs tors. theta energy: -82.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1235.298198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.298198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.298198 (E_RNA) where: Base-Base interactions energy: -709.060 where: short stacking energy: -398.233 Base-Backbone interact. energy: 0.391 local terms energy: -526.628867 where: bonds (distance) C4'-P energy: -137.870 bonds (distance) P-C4' energy: -140.661 flat angles C4'-P-C4' energy: -120.986 flat angles P-C4'-P energy: -59.803 tors. eta vs tors. theta energy: -67.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1140.246719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.246719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.246719 (E_RNA) where: Base-Base interactions energy: -638.078 where: short stacking energy: -323.212 Base-Backbone interact. energy: -0.471 local terms energy: -501.697058 where: bonds (distance) C4'-P energy: -117.134 bonds (distance) P-C4' energy: -143.526 flat angles C4'-P-C4' energy: -129.479 flat angles P-C4'-P energy: -68.754 tors. eta vs tors. theta energy: -42.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -888.347439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.347439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.347439 (E_RNA) where: Base-Base interactions energy: -444.659 where: short stacking energy: -249.529 Base-Backbone interact. energy: -1.290 local terms energy: -443.751734 where: bonds (distance) C4'-P energy: -136.010 bonds (distance) P-C4' energy: -123.411 flat angles C4'-P-C4' energy: -104.729 flat angles P-C4'-P energy: -65.249 tors. eta vs tors. theta energy: -14.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.354 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -626.992389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.992389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.992389 (E_RNA) where: Base-Base interactions energy: -241.637 where: short stacking energy: -190.985 Base-Backbone interact. energy: 3.564 local terms energy: -388.920108 where: bonds (distance) C4'-P energy: -102.836 bonds (distance) P-C4' energy: -130.908 flat angles C4'-P-C4' energy: -100.192 flat angles P-C4'-P energy: -66.303 tors. eta vs tors. theta energy: 11.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -636.287254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.287254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.287254 (E_RNA) where: Base-Base interactions energy: -216.815 where: short stacking energy: -204.608 Base-Backbone interact. energy: 2.427 local terms energy: -421.899180 where: bonds (distance) C4'-P energy: -123.363 bonds (distance) P-C4' energy: -132.898 flat angles C4'-P-C4' energy: -114.993 flat angles P-C4'-P energy: -49.639 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2130.451938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.451938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.451938 (E_RNA) where: Base-Base interactions energy: -1410.336 where: short stacking energy: -611.230 Base-Backbone interact. energy: -5.263 local terms energy: -714.852439 where: bonds (distance) C4'-P energy: -153.572 bonds (distance) P-C4' energy: -159.491 flat angles C4'-P-C4' energy: -148.022 flat angles P-C4'-P energy: -95.124 tors. eta vs tors. theta energy: -158.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2032.549554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.549554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.549554 (E_RNA) where: Base-Base interactions energy: -1320.658 where: short stacking energy: -609.871 Base-Backbone interact. energy: -0.118 local terms energy: -711.774004 where: bonds (distance) C4'-P energy: -138.151 bonds (distance) P-C4' energy: -153.314 flat angles C4'-P-C4' energy: -153.757 flat angles P-C4'-P energy: -93.842 tors. eta vs tors. theta energy: -172.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1776.366054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.366054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.366054 (E_RNA) where: Base-Base interactions energy: -1114.249 where: short stacking energy: -555.253 Base-Backbone interact. energy: -2.877 local terms energy: -659.240781 where: bonds (distance) C4'-P energy: -148.461 bonds (distance) P-C4' energy: -128.313 flat angles C4'-P-C4' energy: -147.568 flat angles P-C4'-P energy: -96.124 tors. eta vs tors. theta energy: -138.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1636.829720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.829720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.829720 (E_RNA) where: Base-Base interactions energy: -1019.339 where: short stacking energy: -491.947 Base-Backbone interact. energy: 0.761 local terms energy: -618.251337 where: bonds (distance) C4'-P energy: -137.583 bonds (distance) P-C4' energy: -142.248 flat angles C4'-P-C4' energy: -133.957 flat angles P-C4'-P energy: -100.233 tors. eta vs tors. theta energy: -104.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1426.891188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.891188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.891188 (E_RNA) where: Base-Base interactions energy: -796.773 where: short stacking energy: -408.467 Base-Backbone interact. energy: 0.633 local terms energy: -630.751217 where: bonds (distance) C4'-P energy: -121.412 bonds (distance) P-C4' energy: -142.678 flat angles C4'-P-C4' energy: -167.750 flat angles P-C4'-P energy: -90.043 tors. eta vs tors. theta energy: -108.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1255.337541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.337541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.337541 (E_RNA) where: Base-Base interactions energy: -711.095 where: short stacking energy: -354.275 Base-Backbone interact. energy: -2.396 local terms energy: -541.846123 where: bonds (distance) C4'-P energy: -130.723 bonds (distance) P-C4' energy: -136.622 flat angles C4'-P-C4' energy: -119.865 flat angles P-C4'-P energy: -91.463 tors. eta vs tors. theta energy: -63.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1334.612340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.612340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.612340 (E_RNA) where: Base-Base interactions energy: -808.768 where: short stacking energy: -385.047 Base-Backbone interact. energy: 2.063 local terms energy: -527.907051 where: bonds (distance) C4'-P energy: -122.702 bonds (distance) P-C4' energy: -122.302 flat angles C4'-P-C4' energy: -128.362 flat angles P-C4'-P energy: -88.417 tors. eta vs tors. theta energy: -66.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -892.447253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.447253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.447253 (E_RNA) where: Base-Base interactions energy: -435.733 where: short stacking energy: -248.335 Base-Backbone interact. energy: 0.712 local terms energy: -457.426539 where: bonds (distance) C4'-P energy: -115.425 bonds (distance) P-C4' energy: -132.920 flat angles C4'-P-C4' energy: -117.384 flat angles P-C4'-P energy: -74.406 tors. eta vs tors. theta energy: -17.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -581.255200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.255200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.255200 (E_RNA) where: Base-Base interactions energy: -196.345 where: short stacking energy: -163.394 Base-Backbone interact. energy: 4.769 local terms energy: -389.679401 where: bonds (distance) C4'-P energy: -114.252 bonds (distance) P-C4' energy: -118.208 flat angles C4'-P-C4' energy: -117.293 flat angles P-C4'-P energy: -69.864 tors. eta vs tors. theta energy: 29.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -555.780114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.780114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.780114 (E_RNA) where: Base-Base interactions energy: -198.028 where: short stacking energy: -161.204 Base-Backbone interact. energy: -4.042 local terms energy: -353.709811 where: bonds (distance) C4'-P energy: -106.915 bonds (distance) P-C4' energy: -123.411 flat angles C4'-P-C4' energy: -108.817 flat angles P-C4'-P energy: -36.334 tors. eta vs tors. theta energy: 21.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2144.502356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.502356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.502356 (E_RNA) where: Base-Base interactions energy: -1414.437 where: short stacking energy: -647.370 Base-Backbone interact. energy: -0.536 local terms energy: -729.528944 where: bonds (distance) C4'-P energy: -153.073 bonds (distance) P-C4' energy: -146.950 flat angles C4'-P-C4' energy: -163.225 flat angles P-C4'-P energy: -96.326 tors. eta vs tors. theta energy: -169.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2103.265281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.265281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.265281 (E_RNA) where: Base-Base interactions energy: -1370.681 where: short stacking energy: -633.988 Base-Backbone interact. energy: -0.969 local terms energy: -731.615963 where: bonds (distance) C4'-P energy: -155.014 bonds (distance) P-C4' energy: -155.581 flat angles C4'-P-C4' energy: -161.910 flat angles P-C4'-P energy: -95.482 tors. eta vs tors. theta energy: -163.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1829.388244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.388244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.388244 (E_RNA) where: Base-Base interactions energy: -1145.032 where: short stacking energy: -548.949 Base-Backbone interact. energy: 0.560 local terms energy: -684.915572 where: bonds (distance) C4'-P energy: -140.126 bonds (distance) P-C4' energy: -144.060 flat angles C4'-P-C4' energy: -152.907 flat angles P-C4'-P energy: -94.499 tors. eta vs tors. theta energy: -153.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1669.737264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.737264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.737264 (E_RNA) where: Base-Base interactions energy: -1041.824 where: short stacking energy: -516.556 Base-Backbone interact. energy: 0.199 local terms energy: -628.112536 where: bonds (distance) C4'-P energy: -135.594 bonds (distance) P-C4' energy: -140.730 flat angles C4'-P-C4' energy: -145.936 flat angles P-C4'-P energy: -87.404 tors. eta vs tors. theta energy: -118.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1414.231531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.231531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.231531 (E_RNA) where: Base-Base interactions energy: -819.936 where: short stacking energy: -422.162 Base-Backbone interact. energy: -0.048 local terms energy: -594.248083 where: bonds (distance) C4'-P energy: -136.459 bonds (distance) P-C4' energy: -138.348 flat angles C4'-P-C4' energy: -154.624 flat angles P-C4'-P energy: -75.782 tors. eta vs tors. theta energy: -89.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1356.712410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.712410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.712410 (E_RNA) where: Base-Base interactions energy: -802.638 where: short stacking energy: -408.397 Base-Backbone interact. energy: 1.360 local terms energy: -555.434078 where: bonds (distance) C4'-P energy: -132.083 bonds (distance) P-C4' energy: -132.903 flat angles C4'-P-C4' energy: -138.864 flat angles P-C4'-P energy: -80.376 tors. eta vs tors. theta energy: -71.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1358.321149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.321149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.321149 (E_RNA) where: Base-Base interactions energy: -866.914 where: short stacking energy: -398.383 Base-Backbone interact. energy: -2.767 local terms energy: -488.640337 where: bonds (distance) C4'-P energy: -106.203 bonds (distance) P-C4' energy: -141.667 flat angles C4'-P-C4' energy: -117.625 flat angles P-C4'-P energy: -64.927 tors. eta vs tors. theta energy: -58.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -875.551371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.551371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.551371 (E_RNA) where: Base-Base interactions energy: -436.979 where: short stacking energy: -275.168 Base-Backbone interact. energy: 1.007 local terms energy: -439.580113 where: bonds (distance) C4'-P energy: -111.006 bonds (distance) P-C4' energy: -139.326 flat angles C4'-P-C4' energy: -105.594 flat angles P-C4'-P energy: -62.370 tors. eta vs tors. theta energy: -21.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -647.499737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.499737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.499737 (E_RNA) where: Base-Base interactions energy: -243.931 where: short stacking energy: -218.882 Base-Backbone interact. energy: 1.164 local terms energy: -404.732632 where: bonds (distance) C4'-P energy: -105.524 bonds (distance) P-C4' energy: -145.688 flat angles C4'-P-C4' energy: -91.934 flat angles P-C4'-P energy: -65.641 tors. eta vs tors. theta energy: 4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -598.791160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.791160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.791160 (E_RNA) where: Base-Base interactions energy: -223.279 where: short stacking energy: -165.354 Base-Backbone interact. energy: -3.157 local terms energy: -372.354588 where: bonds (distance) C4'-P energy: -112.913 bonds (distance) P-C4' energy: -129.913 flat angles C4'-P-C4' energy: -112.811 flat angles P-C4'-P energy: -45.198 tors. eta vs tors. theta energy: 28.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2150.569412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.569412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.569412 (E_RNA) where: Base-Base interactions energy: -1434.918 where: short stacking energy: -648.610 Base-Backbone interact. energy: -2.258 local terms energy: -713.393748 where: bonds (distance) C4'-P energy: -137.470 bonds (distance) P-C4' energy: -145.638 flat angles C4'-P-C4' energy: -164.442 flat angles P-C4'-P energy: -110.543 tors. eta vs tors. theta energy: -155.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2146.585276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.585276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.585276 (E_RNA) where: Base-Base interactions energy: -1448.472 where: short stacking energy: -674.290 Base-Backbone interact. energy: -0.042 local terms energy: -698.071573 where: bonds (distance) C4'-P energy: -142.496 bonds (distance) P-C4' energy: -136.032 flat angles C4'-P-C4' energy: -146.011 flat angles P-C4'-P energy: -91.806 tors. eta vs tors. theta energy: -181.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1857.666257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.666257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.666257 (E_RNA) where: Base-Base interactions energy: -1157.062 where: short stacking energy: -581.507 Base-Backbone interact. energy: -2.402 local terms energy: -698.201909 where: bonds (distance) C4'-P energy: -135.507 bonds (distance) P-C4' energy: -132.773 flat angles C4'-P-C4' energy: -173.309 flat angles P-C4'-P energy: -108.091 tors. eta vs tors. theta energy: -148.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1680.210278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.210278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.210278 (E_RNA) where: Base-Base interactions energy: -1029.110 where: short stacking energy: -530.337 Base-Backbone interact. energy: -1.332 local terms energy: -649.767994 where: bonds (distance) C4'-P energy: -126.888 bonds (distance) P-C4' energy: -156.810 flat angles C4'-P-C4' energy: -140.149 flat angles P-C4'-P energy: -102.168 tors. eta vs tors. theta energy: -123.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1444.374754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.374754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.374754 (E_RNA) where: Base-Base interactions energy: -866.573 where: short stacking energy: -447.692 Base-Backbone interact. energy: 3.293 local terms energy: -581.095235 where: bonds (distance) C4'-P energy: -130.425 bonds (distance) P-C4' energy: -156.550 flat angles C4'-P-C4' energy: -139.481 flat angles P-C4'-P energy: -76.771 tors. eta vs tors. theta energy: -77.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1397.745711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.745711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.745711 (E_RNA) where: Base-Base interactions energy: -841.912 where: short stacking energy: -394.481 Base-Backbone interact. energy: -2.096 local terms energy: -553.738595 where: bonds (distance) C4'-P energy: -122.921 bonds (distance) P-C4' energy: -130.093 flat angles C4'-P-C4' energy: -145.606 flat angles P-C4'-P energy: -91.326 tors. eta vs tors. theta energy: -63.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1220.866237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.866237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.866237 (E_RNA) where: Base-Base interactions energy: -725.117 where: short stacking energy: -362.053 Base-Backbone interact. energy: 4.868 local terms energy: -500.616872 where: bonds (distance) C4'-P energy: -108.541 bonds (distance) P-C4' energy: -135.432 flat angles C4'-P-C4' energy: -130.237 flat angles P-C4'-P energy: -70.504 tors. eta vs tors. theta energy: -55.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -847.208234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.208234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.208234 (E_RNA) where: Base-Base interactions energy: -401.545 where: short stacking energy: -249.698 Base-Backbone interact. energy: 2.556 local terms energy: -448.218857 where: bonds (distance) C4'-P energy: -128.761 bonds (distance) P-C4' energy: -111.229 flat angles C4'-P-C4' energy: -117.680 flat angles P-C4'-P energy: -72.902 tors. eta vs tors. theta energy: -17.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -630.850321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.850321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.850321 (E_RNA) where: Base-Base interactions energy: -259.749 where: short stacking energy: -202.951 Base-Backbone interact. energy: -0.729 local terms energy: -370.372638 where: bonds (distance) C4'-P energy: -109.732 bonds (distance) P-C4' energy: -110.291 flat angles C4'-P-C4' energy: -91.783 flat angles P-C4'-P energy: -61.338 tors. eta vs tors. theta energy: 2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -560.989289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.989289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.989289 (E_RNA) where: Base-Base interactions energy: -220.958 where: short stacking energy: -186.035 Base-Backbone interact. energy: -0.131 local terms energy: -339.899989 where: bonds (distance) C4'-P energy: -100.118 bonds (distance) P-C4' energy: -123.035 flat angles C4'-P-C4' energy: -86.598 flat angles P-C4'-P energy: -53.965 tors. eta vs tors. theta energy: 23.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2176.851633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.851633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.851633 (E_RNA) where: Base-Base interactions energy: -1445.850 where: short stacking energy: -606.486 Base-Backbone interact. energy: -1.198 local terms energy: -729.803288 where: bonds (distance) C4'-P energy: -154.111 bonds (distance) P-C4' energy: -164.546 flat angles C4'-P-C4' energy: -161.310 flat angles P-C4'-P energy: -95.979 tors. eta vs tors. theta energy: -153.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2176.885692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.885692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.885692 (E_RNA) where: Base-Base interactions energy: -1448.374 where: short stacking energy: -653.653 Base-Backbone interact. energy: -2.541 local terms energy: -725.970951 where: bonds (distance) C4'-P energy: -140.867 bonds (distance) P-C4' energy: -147.765 flat angles C4'-P-C4' energy: -167.287 flat angles P-C4'-P energy: -91.000 tors. eta vs tors. theta energy: -179.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1820.869212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.869212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.869212 (E_RNA) where: Base-Base interactions energy: -1151.228 where: short stacking energy: -586.822 Base-Backbone interact. energy: 1.202 local terms energy: -670.843323 where: bonds (distance) C4'-P energy: -147.572 bonds (distance) P-C4' energy: -145.803 flat angles C4'-P-C4' energy: -141.346 flat angles P-C4'-P energy: -88.657 tors. eta vs tors. theta energy: -147.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1721.160031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.160031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.160031 (E_RNA) where: Base-Base interactions energy: -1066.013 where: short stacking energy: -514.144 Base-Backbone interact. energy: -1.002 local terms energy: -654.144956 where: bonds (distance) C4'-P energy: -134.251 bonds (distance) P-C4' energy: -136.334 flat angles C4'-P-C4' energy: -146.185 flat angles P-C4'-P energy: -96.107 tors. eta vs tors. theta energy: -141.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1457.614981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.614981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.614981 (E_RNA) where: Base-Base interactions energy: -881.569 where: short stacking energy: -434.633 Base-Backbone interact. energy: 1.495 local terms energy: -577.540846 where: bonds (distance) C4'-P energy: -136.278 bonds (distance) P-C4' energy: -138.597 flat angles C4'-P-C4' energy: -135.910 flat angles P-C4'-P energy: -88.617 tors. eta vs tors. theta energy: -78.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1486.236759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.236759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.236759 (E_RNA) where: Base-Base interactions energy: -930.906 where: short stacking energy: -445.860 Base-Backbone interact. energy: 0.705 local terms energy: -556.035631 where: bonds (distance) C4'-P energy: -107.766 bonds (distance) P-C4' energy: -147.743 flat angles C4'-P-C4' energy: -138.776 flat angles P-C4'-P energy: -79.954 tors. eta vs tors. theta energy: -81.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1336.974204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.974204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.974204 (E_RNA) where: Base-Base interactions energy: -781.113 where: short stacking energy: -392.446 Base-Backbone interact. energy: -0.411 local terms energy: -555.450428 where: bonds (distance) C4'-P energy: -132.393 bonds (distance) P-C4' energy: -129.310 flat angles C4'-P-C4' energy: -137.666 flat angles P-C4'-P energy: -92.187 tors. eta vs tors. theta energy: -63.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -858.027276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.027276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.027276 (E_RNA) where: Base-Base interactions energy: -384.490 where: short stacking energy: -259.368 Base-Backbone interact. energy: -0.424 local terms energy: -473.113734 where: bonds (distance) C4'-P energy: -114.340 bonds (distance) P-C4' energy: -135.328 flat angles C4'-P-C4' energy: -123.814 flat angles P-C4'-P energy: -88.701 tors. eta vs tors. theta energy: -10.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -622.212495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.212495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.212495 (E_RNA) where: Base-Base interactions energy: -199.134 where: short stacking energy: -181.655 Base-Backbone interact. energy: 2.081 local terms energy: -425.158998 where: bonds (distance) C4'-P energy: -134.887 bonds (distance) P-C4' energy: -126.942 flat angles C4'-P-C4' energy: -113.453 flat angles P-C4'-P energy: -66.017 tors. eta vs tors. theta energy: 16.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -617.549644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.549644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.549644 (E_RNA) where: Base-Base interactions energy: -259.980 where: short stacking energy: -193.570 Base-Backbone interact. energy: -2.834 local terms energy: -354.735844 where: bonds (distance) C4'-P energy: -109.454 bonds (distance) P-C4' energy: -135.835 flat angles C4'-P-C4' energy: -101.045 flat angles P-C4'-P energy: -39.911 tors. eta vs tors. theta energy: 31.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2241.186159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.186159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.186159 (E_RNA) where: Base-Base interactions energy: -1500.961 where: short stacking energy: -688.415 Base-Backbone interact. energy: -1.226 local terms energy: -738.999243 where: bonds (distance) C4'-P energy: -133.275 bonds (distance) P-C4' energy: -139.587 flat angles C4'-P-C4' energy: -174.351 flat angles P-C4'-P energy: -105.319 tors. eta vs tors. theta energy: -186.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2204.241727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.241727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.241727 (E_RNA) where: Base-Base interactions energy: -1465.903 where: short stacking energy: -666.571 Base-Backbone interact. energy: -2.670 local terms energy: -735.669442 where: bonds (distance) C4'-P energy: -140.457 bonds (distance) P-C4' energy: -126.145 flat angles C4'-P-C4' energy: -159.014 flat angles P-C4'-P energy: -109.649 tors. eta vs tors. theta energy: -200.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1762.900413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.900413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.900413 (E_RNA) where: Base-Base interactions energy: -1109.624 where: short stacking energy: -551.472 Base-Backbone interact. energy: 2.045 local terms energy: -655.320622 where: bonds (distance) C4'-P energy: -123.411 bonds (distance) P-C4' energy: -143.045 flat angles C4'-P-C4' energy: -155.942 flat angles P-C4'-P energy: -93.863 tors. eta vs tors. theta energy: -139.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1824.609016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.609016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.609016 (E_RNA) where: Base-Base interactions energy: -1126.641 where: short stacking energy: -583.821 Base-Backbone interact. energy: -1.081 local terms energy: -696.886634 where: bonds (distance) C4'-P energy: -133.369 bonds (distance) P-C4' energy: -146.360 flat angles C4'-P-C4' energy: -159.678 flat angles P-C4'-P energy: -89.705 tors. eta vs tors. theta energy: -167.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1460.303701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.303701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.303701 (E_RNA) where: Base-Base interactions energy: -862.846 where: short stacking energy: -410.199 Base-Backbone interact. energy: -2.538 local terms energy: -594.920038 where: bonds (distance) C4'-P energy: -136.977 bonds (distance) P-C4' energy: -147.727 flat angles C4'-P-C4' energy: -140.680 flat angles P-C4'-P energy: -90.258 tors. eta vs tors. theta energy: -79.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1478.149583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.149583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.149583 (E_RNA) where: Base-Base interactions energy: -933.307 where: short stacking energy: -443.481 Base-Backbone interact. energy: -5.072 local terms energy: -539.770422 where: bonds (distance) C4'-P energy: -131.967 bonds (distance) P-C4' energy: -127.008 flat angles C4'-P-C4' energy: -118.343 flat angles P-C4'-P energy: -82.993 tors. eta vs tors. theta energy: -79.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1279.175047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.175047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.175047 (E_RNA) where: Base-Base interactions energy: -747.948 where: short stacking energy: -403.530 Base-Backbone interact. energy: 0.727 local terms energy: -534.660303 where: bonds (distance) C4'-P energy: -109.146 bonds (distance) P-C4' energy: -145.686 flat angles C4'-P-C4' energy: -120.307 flat angles P-C4'-P energy: -84.888 tors. eta vs tors. theta energy: -74.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.706 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -840.176232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.176232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.176232 (E_RNA) where: Base-Base interactions energy: -388.405 where: short stacking energy: -251.544 Base-Backbone interact. energy: -0.327 local terms energy: -451.444334 where: bonds (distance) C4'-P energy: -126.043 bonds (distance) P-C4' energy: -127.678 flat angles C4'-P-C4' energy: -114.286 flat angles P-C4'-P energy: -67.678 tors. eta vs tors. theta energy: -15.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -611.410352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.410352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.410352 (E_RNA) where: Base-Base interactions energy: -219.075 where: short stacking energy: -174.693 Base-Backbone interact. energy: 1.526 local terms energy: -393.861035 where: bonds (distance) C4'-P energy: -127.355 bonds (distance) P-C4' energy: -123.636 flat angles C4'-P-C4' energy: -95.243 flat angles P-C4'-P energy: -65.546 tors. eta vs tors. theta energy: 17.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -559.168914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.168914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.168914 (E_RNA) where: Base-Base interactions energy: -192.034 where: short stacking energy: -184.631 Base-Backbone interact. energy: 0.520 local terms energy: -367.655516 where: bonds (distance) C4'-P energy: -111.778 bonds (distance) P-C4' energy: -109.900 flat angles C4'-P-C4' energy: -93.890 flat angles P-C4'-P energy: -64.566 tors. eta vs tors. theta energy: 12.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2255.372005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.372005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.372005 (E_RNA) where: Base-Base interactions energy: -1477.939 where: short stacking energy: -645.656 Base-Backbone interact. energy: -2.421 local terms energy: -775.012687 where: bonds (distance) C4'-P energy: -145.680 bonds (distance) P-C4' energy: -152.230 flat angles C4'-P-C4' energy: -175.681 flat angles P-C4'-P energy: -123.650 tors. eta vs tors. theta energy: -177.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2209.405019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.405019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.405019 (E_RNA) where: Base-Base interactions energy: -1459.645 where: short stacking energy: -655.139 Base-Backbone interact. energy: -3.708 local terms energy: -746.051985 where: bonds (distance) C4'-P energy: -147.779 bonds (distance) P-C4' energy: -153.485 flat angles C4'-P-C4' energy: -158.450 flat angles P-C4'-P energy: -91.867 tors. eta vs tors. theta energy: -194.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1901.807409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.807409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.807409 (E_RNA) where: Base-Base interactions energy: -1177.933 where: short stacking energy: -586.118 Base-Backbone interact. energy: -4.324 local terms energy: -719.550181 where: bonds (distance) C4'-P energy: -144.509 bonds (distance) P-C4' energy: -153.233 flat angles C4'-P-C4' energy: -151.694 flat angles P-C4'-P energy: -100.866 tors. eta vs tors. theta energy: -169.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1757.894857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.894857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.894857 (E_RNA) where: Base-Base interactions energy: -1115.273 where: short stacking energy: -529.812 Base-Backbone interact. energy: -1.215 local terms energy: -641.406410 where: bonds (distance) C4'-P energy: -145.368 bonds (distance) P-C4' energy: -140.471 flat angles C4'-P-C4' energy: -137.270 flat angles P-C4'-P energy: -81.729 tors. eta vs tors. theta energy: -136.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1545.408556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.408556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.408556 (E_RNA) where: Base-Base interactions energy: -975.928 where: short stacking energy: -486.872 Base-Backbone interact. energy: -0.211 local terms energy: -569.270037 where: bonds (distance) C4'-P energy: -122.883 bonds (distance) P-C4' energy: -121.722 flat angles C4'-P-C4' energy: -119.131 flat angles P-C4'-P energy: -80.140 tors. eta vs tors. theta energy: -125.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1563.363845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.363845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.363845 (E_RNA) where: Base-Base interactions energy: -995.793 where: short stacking energy: -455.887 Base-Backbone interact. energy: -0.223 local terms energy: -567.348091 where: bonds (distance) C4'-P energy: -119.393 bonds (distance) P-C4' energy: -142.583 flat angles C4'-P-C4' energy: -141.266 flat angles P-C4'-P energy: -76.050 tors. eta vs tors. theta energy: -88.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1254.552748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.552748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.552748 (E_RNA) where: Base-Base interactions energy: -747.802 where: short stacking energy: -375.203 Base-Backbone interact. energy: -0.434 local terms energy: -506.316896 where: bonds (distance) C4'-P energy: -117.025 bonds (distance) P-C4' energy: -136.863 flat angles C4'-P-C4' energy: -116.171 flat angles P-C4'-P energy: -82.810 tors. eta vs tors. theta energy: -53.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -843.828919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.828919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.828919 (E_RNA) where: Base-Base interactions energy: -385.299 where: short stacking energy: -261.927 Base-Backbone interact. energy: -0.029 local terms energy: -458.500480 where: bonds (distance) C4'-P energy: -120.709 bonds (distance) P-C4' energy: -119.436 flat angles C4'-P-C4' energy: -118.753 flat angles P-C4'-P energy: -83.427 tors. eta vs tors. theta energy: -16.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -681.199070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.199070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.199070 (E_RNA) where: Base-Base interactions energy: -265.751 where: short stacking energy: -206.150 Base-Backbone interact. energy: -0.959 local terms energy: -414.488909 where: bonds (distance) C4'-P energy: -119.845 bonds (distance) P-C4' energy: -136.655 flat angles C4'-P-C4' energy: -90.586 flat angles P-C4'-P energy: -70.391 tors. eta vs tors. theta energy: 2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -561.772221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.772221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.772221 (E_RNA) where: Base-Base interactions energy: -190.992 where: short stacking energy: -159.777 Base-Backbone interact. energy: -1.022 local terms energy: -369.758221 where: bonds (distance) C4'-P energy: -120.699 bonds (distance) P-C4' energy: -102.689 flat angles C4'-P-C4' energy: -99.804 flat angles P-C4'-P energy: -74.881 tors. eta vs tors. theta energy: 28.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2208.698673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.698673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.698673 (E_RNA) where: Base-Base interactions energy: -1456.116 where: short stacking energy: -651.744 Base-Backbone interact. energy: -2.074 local terms energy: -750.508926 where: bonds (distance) C4'-P energy: -146.781 bonds (distance) P-C4' energy: -155.074 flat angles C4'-P-C4' energy: -171.748 flat angles P-C4'-P energy: -96.695 tors. eta vs tors. theta energy: -180.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2178.184436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.184436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.184436 (E_RNA) where: Base-Base interactions energy: -1473.495 where: short stacking energy: -652.948 Base-Backbone interact. energy: -1.241 local terms energy: -703.448010 where: bonds (distance) C4'-P energy: -134.894 bonds (distance) P-C4' energy: -144.927 flat angles C4'-P-C4' energy: -145.657 flat angles P-C4'-P energy: -101.904 tors. eta vs tors. theta energy: -176.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1880.878449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.878449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.878449 (E_RNA) where: Base-Base interactions energy: -1177.489 where: short stacking energy: -585.434 Base-Backbone interact. energy: 1.733 local terms energy: -705.121921 where: bonds (distance) C4'-P energy: -129.002 bonds (distance) P-C4' energy: -159.444 flat angles C4'-P-C4' energy: -159.910 flat angles P-C4'-P energy: -100.612 tors. eta vs tors. theta energy: -156.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1741.024987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.024987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.024987 (E_RNA) where: Base-Base interactions energy: -1109.443 where: short stacking energy: -516.493 Base-Backbone interact. energy: -1.351 local terms energy: -630.231077 where: bonds (distance) C4'-P energy: -138.130 bonds (distance) P-C4' energy: -151.338 flat angles C4'-P-C4' energy: -127.560 flat angles P-C4'-P energy: -87.546 tors. eta vs tors. theta energy: -125.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1580.826289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.826289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.826289 (E_RNA) where: Base-Base interactions energy: -994.073 where: short stacking energy: -456.826 Base-Backbone interact. energy: -2.382 local terms energy: -584.371276 where: bonds (distance) C4'-P energy: -117.228 bonds (distance) P-C4' energy: -147.310 flat angles C4'-P-C4' energy: -133.326 flat angles P-C4'-P energy: -76.812 tors. eta vs tors. theta energy: -109.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1563.662976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.662976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.662976 (E_RNA) where: Base-Base interactions energy: -971.870 where: short stacking energy: -449.841 Base-Backbone interact. energy: -1.623 local terms energy: -590.170229 where: bonds (distance) C4'-P energy: -142.140 bonds (distance) P-C4' energy: -124.151 flat angles C4'-P-C4' energy: -141.325 flat angles P-C4'-P energy: -90.883 tors. eta vs tors. theta energy: -91.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1241.491383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.491383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.491383 (E_RNA) where: Base-Base interactions energy: -721.400 where: short stacking energy: -378.379 Base-Backbone interact. energy: 0.349 local terms energy: -520.440273 where: bonds (distance) C4'-P energy: -128.850 bonds (distance) P-C4' energy: -127.187 flat angles C4'-P-C4' energy: -122.043 flat angles P-C4'-P energy: -81.550 tors. eta vs tors. theta energy: -60.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -838.957414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.957414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.957414 (E_RNA) where: Base-Base interactions energy: -405.737 where: short stacking energy: -240.841 Base-Backbone interact. energy: -1.280 local terms energy: -431.939965 where: bonds (distance) C4'-P energy: -138.104 bonds (distance) P-C4' energy: -116.009 flat angles C4'-P-C4' energy: -119.778 flat angles P-C4'-P energy: -65.829 tors. eta vs tors. theta energy: 7.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -598.940390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.940390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.940390 (E_RNA) where: Base-Base interactions energy: -215.511 where: short stacking energy: -180.009 Base-Backbone interact. energy: 3.082 local terms energy: -386.511178 where: bonds (distance) C4'-P energy: -125.177 bonds (distance) P-C4' energy: -130.542 flat angles C4'-P-C4' energy: -85.811 flat angles P-C4'-P energy: -61.156 tors. eta vs tors. theta energy: 16.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -557.108301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.108301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.108301 (E_RNA) where: Base-Base interactions energy: -201.239 where: short stacking energy: -147.011 Base-Backbone interact. energy: -2.493 local terms energy: -353.376755 where: bonds (distance) C4'-P energy: -117.862 bonds (distance) P-C4' energy: -124.861 flat angles C4'-P-C4' energy: -95.214 flat angles P-C4'-P energy: -51.751 tors. eta vs tors. theta energy: 36.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2198.493128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.493128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.493128 (E_RNA) where: Base-Base interactions energy: -1478.674 where: short stacking energy: -661.603 Base-Backbone interact. energy: -5.796 local terms energy: -714.023312 where: bonds (distance) C4'-P energy: -137.445 bonds (distance) P-C4' energy: -148.903 flat angles C4'-P-C4' energy: -161.036 flat angles P-C4'-P energy: -94.426 tors. eta vs tors. theta energy: -172.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2149.409431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.409431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.409431 (E_RNA) where: Base-Base interactions energy: -1441.043 where: short stacking energy: -629.764 Base-Backbone interact. energy: -3.285 local terms energy: -705.081603 where: bonds (distance) C4'-P energy: -140.575 bonds (distance) P-C4' energy: -141.629 flat angles C4'-P-C4' energy: -167.060 flat angles P-C4'-P energy: -84.664 tors. eta vs tors. theta energy: -171.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1920.296012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.296012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.296012 (E_RNA) where: Base-Base interactions energy: -1200.626 where: short stacking energy: -588.709 Base-Backbone interact. energy: -3.373 local terms energy: -716.296788 where: bonds (distance) C4'-P energy: -135.678 bonds (distance) P-C4' energy: -153.564 flat angles C4'-P-C4' energy: -164.926 flat angles P-C4'-P energy: -104.712 tors. eta vs tors. theta energy: -157.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1728.089151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.089151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.089151 (E_RNA) where: Base-Base interactions energy: -1071.731 where: short stacking energy: -520.832 Base-Backbone interact. energy: -2.012 local terms energy: -654.345803 where: bonds (distance) C4'-P energy: -134.470 bonds (distance) P-C4' energy: -139.925 flat angles C4'-P-C4' energy: -147.318 flat angles P-C4'-P energy: -103.849 tors. eta vs tors. theta energy: -128.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1607.506128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.506128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.506128 (E_RNA) where: Base-Base interactions energy: -983.193 where: short stacking energy: -464.075 Base-Backbone interact. energy: -6.065 local terms energy: -618.247734 where: bonds (distance) C4'-P energy: -123.246 bonds (distance) P-C4' energy: -144.985 flat angles C4'-P-C4' energy: -151.582 flat angles P-C4'-P energy: -103.733 tors. eta vs tors. theta energy: -94.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1627.456225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.456225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.456225 (E_RNA) where: Base-Base interactions energy: -1026.474 where: short stacking energy: -492.899 Base-Backbone interact. energy: 1.587 local terms energy: -602.569371 where: bonds (distance) C4'-P energy: -126.426 bonds (distance) P-C4' energy: -142.393 flat angles C4'-P-C4' energy: -138.911 flat angles P-C4'-P energy: -83.803 tors. eta vs tors. theta energy: -111.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1265.425199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.425199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.425199 (E_RNA) where: Base-Base interactions energy: -728.916 where: short stacking energy: -368.503 Base-Backbone interact. energy: 3.354 local terms energy: -539.863993 where: bonds (distance) C4'-P energy: -137.270 bonds (distance) P-C4' energy: -138.546 flat angles C4'-P-C4' energy: -130.000 flat angles P-C4'-P energy: -83.163 tors. eta vs tors. theta energy: -50.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -829.945343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.945343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.945343 (E_RNA) where: Base-Base interactions energy: -384.263 where: short stacking energy: -235.253 Base-Backbone interact. energy: 4.754 local terms energy: -450.436085 where: bonds (distance) C4'-P energy: -117.895 bonds (distance) P-C4' energy: -148.672 flat angles C4'-P-C4' energy: -119.820 flat angles P-C4'-P energy: -59.122 tors. eta vs tors. theta energy: -4.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -611.623524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.623524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.623524 (E_RNA) where: Base-Base interactions energy: -202.174 where: short stacking energy: -199.847 Base-Backbone interact. energy: -2.045 local terms energy: -407.404211 where: bonds (distance) C4'-P energy: -107.310 bonds (distance) P-C4' energy: -124.454 flat angles C4'-P-C4' energy: -122.917 flat angles P-C4'-P energy: -66.450 tors. eta vs tors. theta energy: 13.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -538.010165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.010165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.010165 (E_RNA) where: Base-Base interactions energy: -213.777 where: short stacking energy: -151.284 Base-Backbone interact. energy: 2.032 local terms energy: -326.264745 where: bonds (distance) C4'-P energy: -94.166 bonds (distance) P-C4' energy: -110.930 flat angles C4'-P-C4' energy: -93.300 flat angles P-C4'-P energy: -64.742 tors. eta vs tors. theta energy: 36.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2210.141701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.141701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.141701 (E_RNA) where: Base-Base interactions energy: -1465.712 where: short stacking energy: -661.957 Base-Backbone interact. energy: 2.526 local terms energy: -746.955937 where: bonds (distance) C4'-P energy: -142.041 bonds (distance) P-C4' energy: -161.617 flat angles C4'-P-C4' energy: -159.934 flat angles P-C4'-P energy: -110.208 tors. eta vs tors. theta energy: -173.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2167.758522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.758522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.758522 (E_RNA) where: Base-Base interactions energy: -1440.378 where: short stacking energy: -659.173 Base-Backbone interact. energy: -1.054 local terms energy: -726.326453 where: bonds (distance) C4'-P energy: -148.312 bonds (distance) P-C4' energy: -150.714 flat angles C4'-P-C4' energy: -143.787 flat angles P-C4'-P energy: -100.474 tors. eta vs tors. theta energy: -183.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1932.229280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.229280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.229280 (E_RNA) where: Base-Base interactions energy: -1220.282 where: short stacking energy: -610.393 Base-Backbone interact. energy: -3.569 local terms energy: -708.378718 where: bonds (distance) C4'-P energy: -136.094 bonds (distance) P-C4' energy: -147.682 flat angles C4'-P-C4' energy: -150.415 flat angles P-C4'-P energy: -102.090 tors. eta vs tors. theta energy: -172.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1808.762958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.762958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.762958 (E_RNA) where: Base-Base interactions energy: -1133.706 where: short stacking energy: -550.269 Base-Backbone interact. energy: -4.460 local terms energy: -670.597019 where: bonds (distance) C4'-P energy: -122.592 bonds (distance) P-C4' energy: -155.071 flat angles C4'-P-C4' energy: -152.850 flat angles P-C4'-P energy: -84.852 tors. eta vs tors. theta energy: -155.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1584.975132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.975132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.975132 (E_RNA) where: Base-Base interactions energy: -943.770 where: short stacking energy: -461.559 Base-Backbone interact. energy: -0.643 local terms energy: -640.561776 where: bonds (distance) C4'-P energy: -137.275 bonds (distance) P-C4' energy: -148.026 flat angles C4'-P-C4' energy: -142.367 flat angles P-C4'-P energy: -95.983 tors. eta vs tors. theta energy: -116.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1606.584089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.584089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.584089 (E_RNA) where: Base-Base interactions energy: -1050.169 where: short stacking energy: -478.413 Base-Backbone interact. energy: 5.465 local terms energy: -561.880138 where: bonds (distance) C4'-P energy: -118.465 bonds (distance) P-C4' energy: -124.856 flat angles C4'-P-C4' energy: -115.902 flat angles P-C4'-P energy: -95.071 tors. eta vs tors. theta energy: -107.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1180.256458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.256458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.256458 (E_RNA) where: Base-Base interactions energy: -656.000 where: short stacking energy: -338.055 Base-Backbone interact. energy: -3.720 local terms energy: -520.536328 where: bonds (distance) C4'-P energy: -120.770 bonds (distance) P-C4' energy: -147.126 flat angles C4'-P-C4' energy: -134.078 flat angles P-C4'-P energy: -78.800 tors. eta vs tors. theta energy: -39.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -804.377164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.377164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.377164 (E_RNA) where: Base-Base interactions energy: -370.329 where: short stacking energy: -248.437 Base-Backbone interact. energy: 0.898 local terms energy: -434.945750 where: bonds (distance) C4'-P energy: -116.486 bonds (distance) P-C4' energy: -121.270 flat angles C4'-P-C4' energy: -128.740 flat angles P-C4'-P energy: -68.103 tors. eta vs tors. theta energy: -0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -630.763464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.763464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.763464 (E_RNA) where: Base-Base interactions energy: -244.374 where: short stacking energy: -185.394 Base-Backbone interact. energy: 1.686 local terms energy: -388.342691 where: bonds (distance) C4'-P energy: -94.996 bonds (distance) P-C4' energy: -135.688 flat angles C4'-P-C4' energy: -134.079 flat angles P-C4'-P energy: -54.134 tors. eta vs tors. theta energy: 30.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.268 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -558.081350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.081350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.081350 (E_RNA) where: Base-Base interactions energy: -230.929 where: short stacking energy: -216.234 Base-Backbone interact. energy: -2.419 local terms energy: -324.732876 where: bonds (distance) C4'-P energy: -94.860 bonds (distance) P-C4' energy: -130.689 flat angles C4'-P-C4' energy: -78.712 flat angles P-C4'-P energy: -41.250 tors. eta vs tors. theta energy: 20.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2247.028291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.028291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.028291 (E_RNA) where: Base-Base interactions energy: -1521.619 where: short stacking energy: -660.987 Base-Backbone interact. energy: -0.694 local terms energy: -724.715472 where: bonds (distance) C4'-P energy: -142.542 bonds (distance) P-C4' energy: -144.215 flat angles C4'-P-C4' energy: -157.869 flat angles P-C4'-P energy: -105.996 tors. eta vs tors. theta energy: -174.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2224.462129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.462129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.462129 (E_RNA) where: Base-Base interactions energy: -1476.164 where: short stacking energy: -675.720 Base-Backbone interact. energy: -0.552 local terms energy: -747.746832 where: bonds (distance) C4'-P energy: -144.360 bonds (distance) P-C4' energy: -150.816 flat angles C4'-P-C4' energy: -148.837 flat angles P-C4'-P energy: -106.724 tors. eta vs tors. theta energy: -197.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1909.036641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.036641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.036641 (E_RNA) where: Base-Base interactions energy: -1212.118 where: short stacking energy: -576.180 Base-Backbone interact. energy: -2.020 local terms energy: -694.898395 where: bonds (distance) C4'-P energy: -135.114 bonds (distance) P-C4' energy: -146.257 flat angles C4'-P-C4' energy: -160.015 flat angles P-C4'-P energy: -101.771 tors. eta vs tors. theta energy: -151.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1833.312773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.312773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.312773 (E_RNA) where: Base-Base interactions energy: -1167.018 where: short stacking energy: -551.804 Base-Backbone interact. energy: 0.697 local terms energy: -666.991861 where: bonds (distance) C4'-P energy: -137.982 bonds (distance) P-C4' energy: -153.206 flat angles C4'-P-C4' energy: -154.700 flat angles P-C4'-P energy: -88.417 tors. eta vs tors. theta energy: -132.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1687.485068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.485068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.485068 (E_RNA) where: Base-Base interactions energy: -1080.297 where: short stacking energy: -538.892 Base-Backbone interact. energy: -2.172 local terms energy: -605.016168 where: bonds (distance) C4'-P energy: -133.012 bonds (distance) P-C4' energy: -139.570 flat angles C4'-P-C4' energy: -141.297 flat angles P-C4'-P energy: -74.530 tors. eta vs tors. theta energy: -116.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1525.305633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.305633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.305633 (E_RNA) where: Base-Base interactions energy: -934.619 where: short stacking energy: -459.682 Base-Backbone interact. energy: 1.036 local terms energy: -591.722137 where: bonds (distance) C4'-P energy: -142.966 bonds (distance) P-C4' energy: -134.810 flat angles C4'-P-C4' energy: -144.309 flat angles P-C4'-P energy: -62.940 tors. eta vs tors. theta energy: -106.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1271.953278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.953278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.953278 (E_RNA) where: Base-Base interactions energy: -745.247 where: short stacking energy: -398.986 Base-Backbone interact. energy: -1.438 local terms energy: -525.267782 where: bonds (distance) C4'-P energy: -112.626 bonds (distance) P-C4' energy: -127.563 flat angles C4'-P-C4' energy: -119.156 flat angles P-C4'-P energy: -90.576 tors. eta vs tors. theta energy: -75.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -837.138820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.138820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.138820 (E_RNA) where: Base-Base interactions energy: -358.844 where: short stacking energy: -224.461 Base-Backbone interact. energy: 5.138 local terms energy: -483.432295 where: bonds (distance) C4'-P energy: -123.738 bonds (distance) P-C4' energy: -132.068 flat angles C4'-P-C4' energy: -119.620 flat angles P-C4'-P energy: -90.385 tors. eta vs tors. theta energy: -17.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -622.325172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.325172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.325172 (E_RNA) where: Base-Base interactions energy: -242.494 where: short stacking energy: -194.185 Base-Backbone interact. energy: 4.535 local terms energy: -384.366549 where: bonds (distance) C4'-P energy: -123.765 bonds (distance) P-C4' energy: -134.366 flat angles C4'-P-C4' energy: -89.651 flat angles P-C4'-P energy: -49.676 tors. eta vs tors. theta energy: 13.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -573.809351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.809351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.809351 (E_RNA) where: Base-Base interactions energy: -238.177 where: short stacking energy: -183.739 Base-Backbone interact. energy: -2.610 local terms energy: -333.022029 where: bonds (distance) C4'-P energy: -101.814 bonds (distance) P-C4' energy: -109.150 flat angles C4'-P-C4' energy: -111.069 flat angles P-C4'-P energy: -42.883 tors. eta vs tors. theta energy: 31.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2233.649925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.649925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.649925 (E_RNA) where: Base-Base interactions energy: -1517.670 where: short stacking energy: -672.665 Base-Backbone interact. energy: -2.935 local terms energy: -713.045658 where: bonds (distance) C4'-P energy: -137.122 bonds (distance) P-C4' energy: -142.531 flat angles C4'-P-C4' energy: -157.886 flat angles P-C4'-P energy: -110.340 tors. eta vs tors. theta energy: -165.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2178.332409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.332409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.332409 (E_RNA) where: Base-Base interactions energy: -1456.047 where: short stacking energy: -666.202 Base-Backbone interact. energy: 2.078 local terms energy: -724.363946 where: bonds (distance) C4'-P energy: -138.554 bonds (distance) P-C4' energy: -140.769 flat angles C4'-P-C4' energy: -160.229 flat angles P-C4'-P energy: -96.810 tors. eta vs tors. theta energy: -188.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1922.261786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.261786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.261786 (E_RNA) where: Base-Base interactions energy: -1214.104 where: short stacking energy: -574.318 Base-Backbone interact. energy: -1.670 local terms energy: -706.487490 where: bonds (distance) C4'-P energy: -137.936 bonds (distance) P-C4' energy: -149.310 flat angles C4'-P-C4' energy: -162.760 flat angles P-C4'-P energy: -86.245 tors. eta vs tors. theta energy: -170.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1860.995695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.995695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.995695 (E_RNA) where: Base-Base interactions energy: -1214.548 where: short stacking energy: -556.285 Base-Backbone interact. energy: -1.243 local terms energy: -645.204971 where: bonds (distance) C4'-P energy: -129.739 bonds (distance) P-C4' energy: -140.326 flat angles C4'-P-C4' energy: -141.892 flat angles P-C4'-P energy: -97.710 tors. eta vs tors. theta energy: -135.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1740.488951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.488951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.488951 (E_RNA) where: Base-Base interactions energy: -1078.515 where: short stacking energy: -522.304 Base-Backbone interact. energy: -2.321 local terms energy: -659.652064 where: bonds (distance) C4'-P energy: -125.914 bonds (distance) P-C4' energy: -147.815 flat angles C4'-P-C4' energy: -142.668 flat angles P-C4'-P energy: -99.093 tors. eta vs tors. theta energy: -144.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1512.581168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.581168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.581168 (E_RNA) where: Base-Base interactions energy: -954.617 where: short stacking energy: -462.186 Base-Backbone interact. energy: -1.785 local terms energy: -556.179710 where: bonds (distance) C4'-P energy: -115.517 bonds (distance) P-C4' energy: -134.660 flat angles C4'-P-C4' energy: -133.660 flat angles P-C4'-P energy: -77.484 tors. eta vs tors. theta energy: -94.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1180.997540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.997540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.997540 (E_RNA) where: Base-Base interactions energy: -652.977 where: short stacking energy: -326.454 Base-Backbone interact. energy: -2.691 local terms energy: -525.329517 where: bonds (distance) C4'-P energy: -131.238 bonds (distance) P-C4' energy: -137.274 flat angles C4'-P-C4' energy: -131.353 flat angles P-C4'-P energy: -72.218 tors. eta vs tors. theta energy: -53.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -818.072138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.072138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.072138 (E_RNA) where: Base-Base interactions energy: -383.129 where: short stacking energy: -244.999 Base-Backbone interact. energy: 9.229 local terms energy: -444.172131 where: bonds (distance) C4'-P energy: -129.321 bonds (distance) P-C4' energy: -141.917 flat angles C4'-P-C4' energy: -107.915 flat angles P-C4'-P energy: -71.350 tors. eta vs tors. theta energy: 6.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -645.911911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.911911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.911911 (E_RNA) where: Base-Base interactions energy: -273.696 where: short stacking energy: -193.777 Base-Backbone interact. energy: -3.912 local terms energy: -368.303693 where: bonds (distance) C4'-P energy: -107.663 bonds (distance) P-C4' energy: -135.407 flat angles C4'-P-C4' energy: -106.168 flat angles P-C4'-P energy: -38.529 tors. eta vs tors. theta energy: 19.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -603.980114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.980114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.980114 (E_RNA) where: Base-Base interactions energy: -228.346 where: short stacking energy: -181.547 Base-Backbone interact. energy: 0.294 local terms energy: -375.928204 where: bonds (distance) C4'-P energy: -122.643 bonds (distance) P-C4' energy: -118.716 flat angles C4'-P-C4' energy: -99.672 flat angles P-C4'-P energy: -58.178 tors. eta vs tors. theta energy: 23.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2220.911808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.911808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.911808 (E_RNA) where: Base-Base interactions energy: -1483.260 where: short stacking energy: -653.340 Base-Backbone interact. energy: -0.872 local terms energy: -736.779909 where: bonds (distance) C4'-P energy: -138.322 bonds (distance) P-C4' energy: -155.831 flat angles C4'-P-C4' energy: -159.772 flat angles P-C4'-P energy: -118.258 tors. eta vs tors. theta energy: -164.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2217.864589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.864589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.864589 (E_RNA) where: Base-Base interactions energy: -1444.767 where: short stacking energy: -657.431 Base-Backbone interact. energy: -3.349 local terms energy: -769.748642 where: bonds (distance) C4'-P energy: -155.397 bonds (distance) P-C4' energy: -150.204 flat angles C4'-P-C4' energy: -165.494 flat angles P-C4'-P energy: -107.587 tors. eta vs tors. theta energy: -191.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1911.197117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.197117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.197117 (E_RNA) where: Base-Base interactions energy: -1199.472 where: short stacking energy: -590.452 Base-Backbone interact. energy: -1.512 local terms energy: -710.213278 where: bonds (distance) C4'-P energy: -147.506 bonds (distance) P-C4' energy: -152.897 flat angles C4'-P-C4' energy: -159.477 flat angles P-C4'-P energy: -103.987 tors. eta vs tors. theta energy: -146.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1826.895737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.895737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.895737 (E_RNA) where: Base-Base interactions energy: -1195.742 where: short stacking energy: -552.138 Base-Backbone interact. energy: -3.765 local terms energy: -627.389088 where: bonds (distance) C4'-P energy: -126.824 bonds (distance) P-C4' energy: -144.577 flat angles C4'-P-C4' energy: -150.194 flat angles P-C4'-P energy: -82.364 tors. eta vs tors. theta energy: -123.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1681.708548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.708548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.708548 (E_RNA) where: Base-Base interactions energy: -1064.874 where: short stacking energy: -496.637 Base-Backbone interact. energy: -1.860 local terms energy: -614.974572 where: bonds (distance) C4'-P energy: -136.151 bonds (distance) P-C4' energy: -135.412 flat angles C4'-P-C4' energy: -148.624 flat angles P-C4'-P energy: -70.517 tors. eta vs tors. theta energy: -124.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1505.243408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.243408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.243408 (E_RNA) where: Base-Base interactions energy: -906.969 where: short stacking energy: -442.286 Base-Backbone interact. energy: 0.974 local terms energy: -599.248167 where: bonds (distance) C4'-P energy: -134.398 bonds (distance) P-C4' energy: -140.345 flat angles C4'-P-C4' energy: -134.848 flat angles P-C4'-P energy: -89.710 tors. eta vs tors. theta energy: -99.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1200.906536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.906536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.906536 (E_RNA) where: Base-Base interactions energy: -661.163 where: short stacking energy: -366.703 Base-Backbone interact. energy: -1.611 local terms energy: -538.131845 where: bonds (distance) C4'-P energy: -123.361 bonds (distance) P-C4' energy: -139.006 flat angles C4'-P-C4' energy: -137.335 flat angles P-C4'-P energy: -76.181 tors. eta vs tors. theta energy: -62.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -882.515834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.515834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.515834 (E_RNA) where: Base-Base interactions energy: -454.205 where: short stacking energy: -271.305 Base-Backbone interact. energy: 0.213 local terms energy: -428.524661 where: bonds (distance) C4'-P energy: -129.012 bonds (distance) P-C4' energy: -107.244 flat angles C4'-P-C4' energy: -99.866 flat angles P-C4'-P energy: -83.182 tors. eta vs tors. theta energy: -9.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -633.496729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.496729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.496729 (E_RNA) where: Base-Base interactions energy: -237.927 where: short stacking energy: -173.953 Base-Backbone interact. energy: -2.905 local terms energy: -392.665075 where: bonds (distance) C4'-P energy: -117.242 bonds (distance) P-C4' energy: -140.275 flat angles C4'-P-C4' energy: -94.682 flat angles P-C4'-P energy: -60.464 tors. eta vs tors. theta energy: 19.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -654.366342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.366342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.366342 (E_RNA) where: Base-Base interactions energy: -278.440 where: short stacking energy: -194.724 Base-Backbone interact. energy: 3.832 local terms energy: -379.758122 where: bonds (distance) C4'-P energy: -112.221 bonds (distance) P-C4' energy: -131.217 flat angles C4'-P-C4' energy: -97.665 flat angles P-C4'-P energy: -54.204 tors. eta vs tors. theta energy: 15.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2205.096820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.096820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.096820 (E_RNA) where: Base-Base interactions energy: -1450.973 where: short stacking energy: -620.095 Base-Backbone interact. energy: -0.886 local terms energy: -753.237999 where: bonds (distance) C4'-P energy: -151.732 bonds (distance) P-C4' energy: -161.367 flat angles C4'-P-C4' energy: -168.025 flat angles P-C4'-P energy: -96.940 tors. eta vs tors. theta energy: -175.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2193.274389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.274389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.274389 (E_RNA) where: Base-Base interactions energy: -1415.987 where: short stacking energy: -653.715 Base-Backbone interact. energy: -2.463 local terms energy: -774.824603 where: bonds (distance) C4'-P energy: -146.009 bonds (distance) P-C4' energy: -157.759 flat angles C4'-P-C4' energy: -167.357 flat angles P-C4'-P energy: -111.252 tors. eta vs tors. theta energy: -192.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1958.258737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.258737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.258737 (E_RNA) where: Base-Base interactions energy: -1242.580 where: short stacking energy: -602.740 Base-Backbone interact. energy: -0.680 local terms energy: -714.998520 where: bonds (distance) C4'-P energy: -149.559 bonds (distance) P-C4' energy: -150.108 flat angles C4'-P-C4' energy: -150.392 flat angles P-C4'-P energy: -105.451 tors. eta vs tors. theta energy: -159.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1848.845581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.845581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.845581 (E_RNA) where: Base-Base interactions energy: -1193.104 where: short stacking energy: -583.819 Base-Backbone interact. energy: -2.829 local terms energy: -652.912455 where: bonds (distance) C4'-P energy: -116.930 bonds (distance) P-C4' energy: -149.609 flat angles C4'-P-C4' energy: -140.662 flat angles P-C4'-P energy: -83.342 tors. eta vs tors. theta energy: -162.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1637.543963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.543963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.543963 (E_RNA) where: Base-Base interactions energy: -1015.535 where: short stacking energy: -481.949 Base-Backbone interact. energy: -1.948 local terms energy: -620.060797 where: bonds (distance) C4'-P energy: -140.564 bonds (distance) P-C4' energy: -139.094 flat angles C4'-P-C4' energy: -147.963 flat angles P-C4'-P energy: -98.457 tors. eta vs tors. theta energy: -93.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1485.151305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.151305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.151305 (E_RNA) where: Base-Base interactions energy: -913.879 where: short stacking energy: -436.589 Base-Backbone interact. energy: -1.194 local terms energy: -570.077639 where: bonds (distance) C4'-P energy: -127.480 bonds (distance) P-C4' energy: -132.614 flat angles C4'-P-C4' energy: -141.160 flat angles P-C4'-P energy: -85.348 tors. eta vs tors. theta energy: -83.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1208.887517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.887517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.887517 (E_RNA) where: Base-Base interactions energy: -701.740 where: short stacking energy: -403.076 Base-Backbone interact. energy: 1.174 local terms energy: -508.321440 where: bonds (distance) C4'-P energy: -122.209 bonds (distance) P-C4' energy: -120.087 flat angles C4'-P-C4' energy: -122.292 flat angles P-C4'-P energy: -75.846 tors. eta vs tors. theta energy: -67.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -901.277785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.277785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.277785 (E_RNA) where: Base-Base interactions energy: -441.741 where: short stacking energy: -258.315 Base-Backbone interact. energy: 4.577 local terms energy: -464.113545 where: bonds (distance) C4'-P energy: -138.243 bonds (distance) P-C4' energy: -127.403 flat angles C4'-P-C4' energy: -112.991 flat angles P-C4'-P energy: -69.388 tors. eta vs tors. theta energy: -16.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -648.940719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.940719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.940719 (E_RNA) where: Base-Base interactions energy: -231.436 where: short stacking energy: -178.306 Base-Backbone interact. energy: 1.276 local terms energy: -418.780058 where: bonds (distance) C4'-P energy: -135.647 bonds (distance) P-C4' energy: -137.513 flat angles C4'-P-C4' energy: -109.424 flat angles P-C4'-P energy: -53.629 tors. eta vs tors. theta energy: 17.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -642.819330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.819330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.819330 (E_RNA) where: Base-Base interactions energy: -243.863 where: short stacking energy: -161.427 Base-Backbone interact. energy: 5.186 local terms energy: -404.142321 where: bonds (distance) C4'-P energy: -115.206 bonds (distance) P-C4' energy: -127.612 flat angles C4'-P-C4' energy: -108.904 flat angles P-C4'-P energy: -72.258 tors. eta vs tors. theta energy: 19.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2280.180148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.180148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.180148 (E_RNA) where: Base-Base interactions energy: -1482.756 where: short stacking energy: -716.457 Base-Backbone interact. energy: -6.774 local terms energy: -790.649321 where: bonds (distance) C4'-P energy: -151.450 bonds (distance) P-C4' energy: -152.353 flat angles C4'-P-C4' energy: -163.990 flat angles P-C4'-P energy: -109.854 tors. eta vs tors. theta energy: -213.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2161.580489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.580489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.580489 (E_RNA) where: Base-Base interactions energy: -1476.224 where: short stacking energy: -602.407 Base-Backbone interact. energy: 4.477 local terms energy: -689.833315 where: bonds (distance) C4'-P energy: -137.509 bonds (distance) P-C4' energy: -156.645 flat angles C4'-P-C4' energy: -159.214 flat angles P-C4'-P energy: -93.095 tors. eta vs tors. theta energy: -143.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1903.057960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.057960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.057960 (E_RNA) where: Base-Base interactions energy: -1203.868 where: short stacking energy: -560.820 Base-Backbone interact. energy: -0.063 local terms energy: -699.126974 where: bonds (distance) C4'-P energy: -147.488 bonds (distance) P-C4' energy: -143.006 flat angles C4'-P-C4' energy: -156.081 flat angles P-C4'-P energy: -98.999 tors. eta vs tors. theta energy: -153.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1790.867886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.867886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.867886 (E_RNA) where: Base-Base interactions energy: -1159.025 where: short stacking energy: -534.929 Base-Backbone interact. energy: 0.080 local terms energy: -631.922941 where: bonds (distance) C4'-P energy: -144.913 bonds (distance) P-C4' energy: -120.143 flat angles C4'-P-C4' energy: -140.667 flat angles P-C4'-P energy: -102.356 tors. eta vs tors. theta energy: -123.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1650.554312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.554312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.554312 (E_RNA) where: Base-Base interactions energy: -1061.355 where: short stacking energy: -527.378 Base-Backbone interact. energy: 1.103 local terms energy: -590.301988 where: bonds (distance) C4'-P energy: -119.407 bonds (distance) P-C4' energy: -129.102 flat angles C4'-P-C4' energy: -140.583 flat angles P-C4'-P energy: -87.890 tors. eta vs tors. theta energy: -113.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1492.608087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.608087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.608087 (E_RNA) where: Base-Base interactions energy: -933.676 where: short stacking energy: -448.025 Base-Backbone interact. energy: 1.917 local terms energy: -560.849845 where: bonds (distance) C4'-P energy: -138.135 bonds (distance) P-C4' energy: -135.678 flat angles C4'-P-C4' energy: -126.677 flat angles P-C4'-P energy: -72.313 tors. eta vs tors. theta energy: -88.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1162.310369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.310369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.310369 (E_RNA) where: Base-Base interactions energy: -660.913 where: short stacking energy: -314.942 Base-Backbone interact. energy: -2.658 local terms energy: -498.738735 where: bonds (distance) C4'-P energy: -117.971 bonds (distance) P-C4' energy: -111.889 flat angles C4'-P-C4' energy: -138.147 flat angles P-C4'-P energy: -84.676 tors. eta vs tors. theta energy: -46.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -906.147538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.147538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.147538 (E_RNA) where: Base-Base interactions energy: -445.893 where: short stacking energy: -252.792 Base-Backbone interact. energy: 3.390 local terms energy: -463.644559 where: bonds (distance) C4'-P energy: -108.834 bonds (distance) P-C4' energy: -141.016 flat angles C4'-P-C4' energy: -126.060 flat angles P-C4'-P energy: -76.880 tors. eta vs tors. theta energy: -10.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -755.274726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.274726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.274726 (E_RNA) where: Base-Base interactions energy: -326.502 where: short stacking energy: -216.763 Base-Backbone interact. energy: 1.320 local terms energy: -430.092298 where: bonds (distance) C4'-P energy: -122.901 bonds (distance) P-C4' energy: -134.983 flat angles C4'-P-C4' energy: -109.936 flat angles P-C4'-P energy: -73.159 tors. eta vs tors. theta energy: 10.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -591.104754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.104754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.104754 (E_RNA) where: Base-Base interactions energy: -250.482 where: short stacking energy: -178.031 Base-Backbone interact. energy: -3.436 local terms energy: -337.187106 where: bonds (distance) C4'-P energy: -104.825 bonds (distance) P-C4' energy: -117.575 flat angles C4'-P-C4' energy: -100.071 flat angles P-C4'-P energy: -38.228 tors. eta vs tors. theta energy: 23.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2283.514226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.514226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.514226 (E_RNA) where: Base-Base interactions energy: -1509.660 where: short stacking energy: -697.115 Base-Backbone interact. energy: 3.348 local terms energy: -777.201818 where: bonds (distance) C4'-P energy: -146.053 bonds (distance) P-C4' energy: -167.744 flat angles C4'-P-C4' energy: -159.743 flat angles P-C4'-P energy: -96.295 tors. eta vs tors. theta energy: -207.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2196.103732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.103732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.103732 (E_RNA) where: Base-Base interactions energy: -1490.002 where: short stacking energy: -620.457 Base-Backbone interact. energy: -3.058 local terms energy: -703.043555 where: bonds (distance) C4'-P energy: -137.572 bonds (distance) P-C4' energy: -135.283 flat angles C4'-P-C4' energy: -174.579 flat angles P-C4'-P energy: -97.651 tors. eta vs tors. theta energy: -157.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1933.806567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.806567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.806567 (E_RNA) where: Base-Base interactions energy: -1251.723 where: short stacking energy: -583.722 Base-Backbone interact. energy: 1.376 local terms energy: -683.459712 where: bonds (distance) C4'-P energy: -137.313 bonds (distance) P-C4' energy: -142.482 flat angles C4'-P-C4' energy: -153.585 flat angles P-C4'-P energy: -100.771 tors. eta vs tors. theta energy: -149.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1843.227376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.227376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.227376 (E_RNA) where: Base-Base interactions energy: -1170.687 where: short stacking energy: -551.765 Base-Backbone interact. energy: -0.995 local terms energy: -671.545614 where: bonds (distance) C4'-P energy: -140.509 bonds (distance) P-C4' energy: -130.990 flat angles C4'-P-C4' energy: -155.018 flat angles P-C4'-P energy: -93.449 tors. eta vs tors. theta energy: -151.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1695.318657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.318657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.318657 (E_RNA) where: Base-Base interactions energy: -1067.376 where: short stacking energy: -496.464 Base-Backbone interact. energy: -0.339 local terms energy: -627.604035 where: bonds (distance) C4'-P energy: -126.960 bonds (distance) P-C4' energy: -136.599 flat angles C4'-P-C4' energy: -147.413 flat angles P-C4'-P energy: -97.423 tors. eta vs tors. theta energy: -119.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1522.204812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.204812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.204812 (E_RNA) where: Base-Base interactions energy: -955.278 where: short stacking energy: -470.017 Base-Backbone interact. energy: 2.030 local terms energy: -568.957040 where: bonds (distance) C4'-P energy: -115.392 bonds (distance) P-C4' energy: -136.138 flat angles C4'-P-C4' energy: -131.866 flat angles P-C4'-P energy: -78.214 tors. eta vs tors. theta energy: -107.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1181.470025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.470025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.470025 (E_RNA) where: Base-Base interactions energy: -660.737 where: short stacking energy: -354.733 Base-Backbone interact. energy: 2.002 local terms energy: -522.735082 where: bonds (distance) C4'-P energy: -132.407 bonds (distance) P-C4' energy: -133.046 flat angles C4'-P-C4' energy: -119.577 flat angles P-C4'-P energy: -71.727 tors. eta vs tors. theta energy: -65.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -939.361757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.361757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.361757 (E_RNA) where: Base-Base interactions energy: -468.795 where: short stacking energy: -287.584 Base-Backbone interact. energy: -0.962 local terms energy: -469.605264 where: bonds (distance) C4'-P energy: -117.741 bonds (distance) P-C4' energy: -149.685 flat angles C4'-P-C4' energy: -109.438 flat angles P-C4'-P energy: -62.163 tors. eta vs tors. theta energy: -30.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -742.240619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.240619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.240619 (E_RNA) where: Base-Base interactions energy: -387.760 where: short stacking energy: -242.338 Base-Backbone interact. energy: 3.720 local terms energy: -358.200231 where: bonds (distance) C4'-P energy: -118.414 bonds (distance) P-C4' energy: -105.896 flat angles C4'-P-C4' energy: -95.645 flat angles P-C4'-P energy: -46.294 tors. eta vs tors. theta energy: 8.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -613.641983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.641983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.641983 (E_RNA) where: Base-Base interactions energy: -250.580 where: short stacking energy: -196.616 Base-Backbone interact. energy: -1.395 local terms energy: -361.666930 where: bonds (distance) C4'-P energy: -121.010 bonds (distance) P-C4' energy: -110.998 flat angles C4'-P-C4' energy: -98.862 flat angles P-C4'-P energy: -60.655 tors. eta vs tors. theta energy: 29.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2242.497706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.497706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.497706 (E_RNA) where: Base-Base interactions energy: -1468.202 where: short stacking energy: -700.093 Base-Backbone interact. energy: -3.846 local terms energy: -770.450482 where: bonds (distance) C4'-P energy: -146.026 bonds (distance) P-C4' energy: -156.859 flat angles C4'-P-C4' energy: -168.905 flat angles P-C4'-P energy: -98.759 tors. eta vs tors. theta energy: -199.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2173.152372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.152372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.152372 (E_RNA) where: Base-Base interactions energy: -1480.658 where: short stacking energy: -629.713 Base-Backbone interact. energy: 0.512 local terms energy: -693.006020 where: bonds (distance) C4'-P energy: -135.567 bonds (distance) P-C4' energy: -150.580 flat angles C4'-P-C4' energy: -155.832 flat angles P-C4'-P energy: -95.007 tors. eta vs tors. theta energy: -156.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1932.053643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.053643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.053643 (E_RNA) where: Base-Base interactions energy: -1235.896 where: short stacking energy: -604.854 Base-Backbone interact. energy: -2.260 local terms energy: -693.897170 where: bonds (distance) C4'-P energy: -139.921 bonds (distance) P-C4' energy: -139.213 flat angles C4'-P-C4' energy: -157.347 flat angles P-C4'-P energy: -102.876 tors. eta vs tors. theta energy: -154.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1805.747172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.747172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.747172 (E_RNA) where: Base-Base interactions energy: -1146.082 where: short stacking energy: -554.592 Base-Backbone interact. energy: -0.918 local terms energy: -658.747337 where: bonds (distance) C4'-P energy: -129.938 bonds (distance) P-C4' energy: -147.124 flat angles C4'-P-C4' energy: -152.348 flat angles P-C4'-P energy: -96.315 tors. eta vs tors. theta energy: -133.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1747.963086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.963086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.963086 (E_RNA) where: Base-Base interactions energy: -1122.555 where: short stacking energy: -509.831 Base-Backbone interact. energy: -3.359 local terms energy: -622.049626 where: bonds (distance) C4'-P energy: -122.540 bonds (distance) P-C4' energy: -139.840 flat angles C4'-P-C4' energy: -145.868 flat angles P-C4'-P energy: -93.489 tors. eta vs tors. theta energy: -120.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1502.671573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.671573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.671573 (E_RNA) where: Base-Base interactions energy: -940.862 where: short stacking energy: -446.145 Base-Backbone interact. energy: 3.274 local terms energy: -565.083329 where: bonds (distance) C4'-P energy: -130.789 bonds (distance) P-C4' energy: -135.273 flat angles C4'-P-C4' energy: -125.554 flat angles P-C4'-P energy: -87.228 tors. eta vs tors. theta energy: -86.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1129.979636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.979636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.979636 (E_RNA) where: Base-Base interactions energy: -627.372 where: short stacking energy: -340.923 Base-Backbone interact. energy: 2.735 local terms energy: -505.342338 where: bonds (distance) C4'-P energy: -136.727 bonds (distance) P-C4' energy: -135.164 flat angles C4'-P-C4' energy: -118.371 flat angles P-C4'-P energy: -73.601 tors. eta vs tors. theta energy: -41.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -981.736901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.736901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.736901 (E_RNA) where: Base-Base interactions energy: -500.920 where: short stacking energy: -288.165 Base-Backbone interact. energy: -4.375 local terms energy: -476.442306 where: bonds (distance) C4'-P energy: -130.229 bonds (distance) P-C4' energy: -125.762 flat angles C4'-P-C4' energy: -112.976 flat angles P-C4'-P energy: -73.914 tors. eta vs tors. theta energy: -33.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -782.545527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.545527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.545527 (E_RNA) where: Base-Base interactions energy: -382.993 where: short stacking energy: -260.406 Base-Backbone interact. energy: -3.726 local terms energy: -395.826565 where: bonds (distance) C4'-P energy: -113.366 bonds (distance) P-C4' energy: -103.820 flat angles C4'-P-C4' energy: -121.831 flat angles P-C4'-P energy: -57.206 tors. eta vs tors. theta energy: 0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -648.587217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.587217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.587217 (E_RNA) where: Base-Base interactions energy: -268.496 where: short stacking energy: -163.884 Base-Backbone interact. energy: 0.027 local terms energy: -380.118152 where: bonds (distance) C4'-P energy: -123.471 bonds (distance) P-C4' energy: -112.171 flat angles C4'-P-C4' energy: -93.950 flat angles P-C4'-P energy: -68.304 tors. eta vs tors. theta energy: 17.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2256.760233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.760233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.760233 (E_RNA) where: Base-Base interactions energy: -1509.500 where: short stacking energy: -701.523 Base-Backbone interact. energy: -1.373 local terms energy: -745.887167 where: bonds (distance) C4'-P energy: -131.041 bonds (distance) P-C4' energy: -144.481 flat angles C4'-P-C4' energy: -161.899 flat angles P-C4'-P energy: -107.364 tors. eta vs tors. theta energy: -201.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2175.844632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.844632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.844632 (E_RNA) where: Base-Base interactions energy: -1470.725 where: short stacking energy: -589.583 Base-Backbone interact. energy: -3.750 local terms energy: -701.369364 where: bonds (distance) C4'-P energy: -142.183 bonds (distance) P-C4' energy: -150.903 flat angles C4'-P-C4' energy: -151.562 flat angles P-C4'-P energy: -107.161 tors. eta vs tors. theta energy: -149.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1965.417729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.417729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.417729 (E_RNA) where: Base-Base interactions energy: -1256.486 where: short stacking energy: -577.096 Base-Backbone interact. energy: -2.025 local terms energy: -706.906131 where: bonds (distance) C4'-P energy: -125.057 bonds (distance) P-C4' energy: -153.607 flat angles C4'-P-C4' energy: -162.038 flat angles P-C4'-P energy: -120.974 tors. eta vs tors. theta energy: -145.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1777.178816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.178816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.178816 (E_RNA) where: Base-Base interactions energy: -1128.711 where: short stacking energy: -525.337 Base-Backbone interact. energy: -3.526 local terms energy: -644.941925 where: bonds (distance) C4'-P energy: -146.320 bonds (distance) P-C4' energy: -121.367 flat angles C4'-P-C4' energy: -141.518 flat angles P-C4'-P energy: -99.120 tors. eta vs tors. theta energy: -136.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1776.480026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.480026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.480026 (E_RNA) where: Base-Base interactions energy: -1167.164 where: short stacking energy: -537.992 Base-Backbone interact. energy: -1.942 local terms energy: -607.374547 where: bonds (distance) C4'-P energy: -129.947 bonds (distance) P-C4' energy: -136.142 flat angles C4'-P-C4' energy: -140.353 flat angles P-C4'-P energy: -76.694 tors. eta vs tors. theta energy: -124.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1548.892710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.892710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.892710 (E_RNA) where: Base-Base interactions energy: -940.218 where: short stacking energy: -462.582 Base-Backbone interact. energy: 2.401 local terms energy: -611.075718 where: bonds (distance) C4'-P energy: -120.528 bonds (distance) P-C4' energy: -138.778 flat angles C4'-P-C4' energy: -158.156 flat angles P-C4'-P energy: -82.723 tors. eta vs tors. theta energy: -110.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1174.725851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.725851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.725851 (E_RNA) where: Base-Base interactions energy: -682.760 where: short stacking energy: -345.524 Base-Backbone interact. energy: -0.586 local terms energy: -491.380709 where: bonds (distance) C4'-P energy: -129.987 bonds (distance) P-C4' energy: -124.483 flat angles C4'-P-C4' energy: -119.251 flat angles P-C4'-P energy: -77.514 tors. eta vs tors. theta energy: -40.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1002.081723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.081723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.081723 (E_RNA) where: Base-Base interactions energy: -534.523 where: short stacking energy: -293.156 Base-Backbone interact. energy: -0.550 local terms energy: -467.354280 where: bonds (distance) C4'-P energy: -112.742 bonds (distance) P-C4' energy: -136.369 flat angles C4'-P-C4' energy: -130.249 flat angles P-C4'-P energy: -64.808 tors. eta vs tors. theta energy: -23.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.345 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -765.291615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.291615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.291615 (E_RNA) where: Base-Base interactions energy: -369.089 where: short stacking energy: -207.288 Base-Backbone interact. energy: -2.811 local terms energy: -393.392213 where: bonds (distance) C4'-P energy: -114.487 bonds (distance) P-C4' energy: -130.784 flat angles C4'-P-C4' energy: -100.922 flat angles P-C4'-P energy: -54.088 tors. eta vs tors. theta energy: 6.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -667.761163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.761163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.761163 (E_RNA) where: Base-Base interactions energy: -275.886 where: short stacking energy: -191.298 Base-Backbone interact. energy: 1.993 local terms energy: -394.276157 where: bonds (distance) C4'-P energy: -140.085 bonds (distance) P-C4' energy: -134.216 flat angles C4'-P-C4' energy: -91.749 flat angles P-C4'-P energy: -45.930 tors. eta vs tors. theta energy: 17.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.408 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2242.938422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.938422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.938422 (E_RNA) where: Base-Base interactions energy: -1467.936 where: short stacking energy: -698.692 Base-Backbone interact. energy: 3.442 local terms energy: -778.444294 where: bonds (distance) C4'-P energy: -155.615 bonds (distance) P-C4' energy: -149.886 flat angles C4'-P-C4' energy: -167.859 flat angles P-C4'-P energy: -107.221 tors. eta vs tors. theta energy: -197.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2171.580731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.580731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.580731 (E_RNA) where: Base-Base interactions energy: -1470.300 where: short stacking energy: -615.993 Base-Backbone interact. energy: -0.263 local terms energy: -701.018576 where: bonds (distance) C4'-P energy: -145.611 bonds (distance) P-C4' energy: -146.383 flat angles C4'-P-C4' energy: -159.544 flat angles P-C4'-P energy: -104.530 tors. eta vs tors. theta energy: -144.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2017.575890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.575890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.575890 (E_RNA) where: Base-Base interactions energy: -1342.464 where: short stacking energy: -623.041 Base-Backbone interact. energy: -2.383 local terms energy: -672.729243 where: bonds (distance) C4'-P energy: -140.042 bonds (distance) P-C4' energy: -124.213 flat angles C4'-P-C4' energy: -154.728 flat angles P-C4'-P energy: -86.120 tors. eta vs tors. theta energy: -167.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1898.701356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.701356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.701356 (E_RNA) where: Base-Base interactions energy: -1205.310 where: short stacking energy: -605.639 Base-Backbone interact. energy: -0.073 local terms energy: -693.318005 where: bonds (distance) C4'-P energy: -132.143 bonds (distance) P-C4' energy: -149.420 flat angles C4'-P-C4' energy: -143.329 flat angles P-C4'-P energy: -105.126 tors. eta vs tors. theta energy: -163.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1758.275222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.275222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.275222 (E_RNA) where: Base-Base interactions energy: -1137.840 where: short stacking energy: -506.349 Base-Backbone interact. energy: -1.003 local terms energy: -619.431960 where: bonds (distance) C4'-P energy: -136.897 bonds (distance) P-C4' energy: -138.152 flat angles C4'-P-C4' energy: -149.492 flat angles P-C4'-P energy: -85.210 tors. eta vs tors. theta energy: -109.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1527.264512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.264512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.264512 (E_RNA) where: Base-Base interactions energy: -956.762 where: short stacking energy: -461.328 Base-Backbone interact. energy: 2.041 local terms energy: -572.543217 where: bonds (distance) C4'-P energy: -119.819 bonds (distance) P-C4' energy: -118.258 flat angles C4'-P-C4' energy: -122.140 flat angles P-C4'-P energy: -98.864 tors. eta vs tors. theta energy: -113.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1224.347561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.347561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.347561 (E_RNA) where: Base-Base interactions energy: -736.210 where: short stacking energy: -391.549 Base-Backbone interact. energy: -3.508 local terms energy: -484.629681 where: bonds (distance) C4'-P energy: -127.875 bonds (distance) P-C4' energy: -114.991 flat angles C4'-P-C4' energy: -109.407 flat angles P-C4'-P energy: -77.329 tors. eta vs tors. theta energy: -55.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -977.819255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.819255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.819255 (E_RNA) where: Base-Base interactions energy: -502.764 where: short stacking energy: -279.553 Base-Backbone interact. energy: -3.650 local terms energy: -471.405089 where: bonds (distance) C4'-P energy: -115.606 bonds (distance) P-C4' energy: -139.230 flat angles C4'-P-C4' energy: -116.730 flat angles P-C4'-P energy: -72.480 tors. eta vs tors. theta energy: -27.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -907.438351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.438351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.438351 (E_RNA) where: Base-Base interactions energy: -479.590 where: short stacking energy: -270.895 Base-Backbone interact. energy: -3.366 local terms energy: -424.482415 where: bonds (distance) C4'-P energy: -105.844 bonds (distance) P-C4' energy: -128.512 flat angles C4'-P-C4' energy: -97.753 flat angles P-C4'-P energy: -72.582 tors. eta vs tors. theta energy: -19.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -624.660565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.660565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.660565 (E_RNA) where: Base-Base interactions energy: -259.510 where: short stacking energy: -175.774 Base-Backbone interact. energy: 1.610 local terms energy: -366.760277 where: bonds (distance) C4'-P energy: -133.950 bonds (distance) P-C4' energy: -96.150 flat angles C4'-P-C4' energy: -104.672 flat angles P-C4'-P energy: -43.425 tors. eta vs tors. theta energy: 11.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2274.654516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.654516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.654516 (E_RNA) where: Base-Base interactions energy: -1507.026 where: short stacking energy: -678.889 Base-Backbone interact. energy: -0.265 local terms energy: -767.363244 where: bonds (distance) C4'-P energy: -141.989 bonds (distance) P-C4' energy: -164.226 flat angles C4'-P-C4' energy: -162.697 flat angles P-C4'-P energy: -99.640 tors. eta vs tors. theta energy: -198.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2151.279677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.279677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.279677 (E_RNA) where: Base-Base interactions energy: -1461.378 where: short stacking energy: -608.645 Base-Backbone interact. energy: -0.873 local terms energy: -689.028406 where: bonds (distance) C4'-P energy: -138.658 bonds (distance) P-C4' energy: -151.154 flat angles C4'-P-C4' energy: -145.964 flat angles P-C4'-P energy: -106.184 tors. eta vs tors. theta energy: -147.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1988.972029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.972029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.972029 (E_RNA) where: Base-Base interactions energy: -1286.613 where: short stacking energy: -611.595 Base-Backbone interact. energy: 4.510 local terms energy: -706.868845 where: bonds (distance) C4'-P energy: -152.272 bonds (distance) P-C4' energy: -135.158 flat angles C4'-P-C4' energy: -152.400 flat angles P-C4'-P energy: -100.726 tors. eta vs tors. theta energy: -166.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1866.104638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.104638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.104638 (E_RNA) where: Base-Base interactions energy: -1218.353 where: short stacking energy: -549.403 Base-Backbone interact. energy: -0.244 local terms energy: -647.507953 where: bonds (distance) C4'-P energy: -123.655 bonds (distance) P-C4' energy: -145.285 flat angles C4'-P-C4' energy: -136.532 flat angles P-C4'-P energy: -95.244 tors. eta vs tors. theta energy: -146.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1777.997069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.997069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.997069 (E_RNA) where: Base-Base interactions energy: -1143.181 where: short stacking energy: -523.980 Base-Backbone interact. energy: -4.001 local terms energy: -630.814728 where: bonds (distance) C4'-P energy: -137.680 bonds (distance) P-C4' energy: -127.545 flat angles C4'-P-C4' energy: -154.121 flat angles P-C4'-P energy: -88.808 tors. eta vs tors. theta energy: -122.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1563.579798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.579798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.579798 (E_RNA) where: Base-Base interactions energy: -978.875 where: short stacking energy: -455.650 Base-Backbone interact. energy: -2.320 local terms energy: -582.384699 where: bonds (distance) C4'-P energy: -118.692 bonds (distance) P-C4' energy: -142.361 flat angles C4'-P-C4' energy: -129.424 flat angles P-C4'-P energy: -87.123 tors. eta vs tors. theta energy: -104.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1166.542985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.542985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.542985 (E_RNA) where: Base-Base interactions energy: -666.261 where: short stacking energy: -355.098 Base-Backbone interact. energy: -1.467 local terms energy: -498.814913 where: bonds (distance) C4'-P energy: -117.328 bonds (distance) P-C4' energy: -127.712 flat angles C4'-P-C4' energy: -125.071 flat angles P-C4'-P energy: -76.592 tors. eta vs tors. theta energy: -52.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1031.090135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.090135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.090135 (E_RNA) where: Base-Base interactions energy: -573.834 where: short stacking energy: -309.816 Base-Backbone interact. energy: 0.717 local terms energy: -457.973348 where: bonds (distance) C4'-P energy: -124.098 bonds (distance) P-C4' energy: -137.003 flat angles C4'-P-C4' energy: -100.468 flat angles P-C4'-P energy: -68.981 tors. eta vs tors. theta energy: -27.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -861.645323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.645323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.645323 (E_RNA) where: Base-Base interactions energy: -472.118 where: short stacking energy: -246.130 Base-Backbone interact. energy: 0.005 local terms energy: -389.532706 where: bonds (distance) C4'-P energy: -99.515 bonds (distance) P-C4' energy: -120.406 flat angles C4'-P-C4' energy: -110.292 flat angles P-C4'-P energy: -64.803 tors. eta vs tors. theta energy: 5.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -544.708876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.708876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.708876 (E_RNA) where: Base-Base interactions energy: -193.160 where: short stacking energy: -172.725 Base-Backbone interact. energy: -2.793 local terms energy: -348.755582 where: bonds (distance) C4'-P energy: -101.649 bonds (distance) P-C4' energy: -107.739 flat angles C4'-P-C4' energy: -96.931 flat angles P-C4'-P energy: -59.627 tors. eta vs tors. theta energy: 17.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2291.099060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.099060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.099060 (E_RNA) where: Base-Base interactions energy: -1527.109 where: short stacking energy: -703.115 Base-Backbone interact. energy: -4.439 local terms energy: -759.551366 where: bonds (distance) C4'-P energy: -151.575 bonds (distance) P-C4' energy: -138.045 flat angles C4'-P-C4' energy: -170.141 flat angles P-C4'-P energy: -104.835 tors. eta vs tors. theta energy: -194.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2138.960816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.960816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.960816 (E_RNA) where: Base-Base interactions energy: -1449.622 where: short stacking energy: -607.485 Base-Backbone interact. energy: -1.278 local terms energy: -688.060158 where: bonds (distance) C4'-P energy: -147.072 bonds (distance) P-C4' energy: -149.237 flat angles C4'-P-C4' energy: -157.562 flat angles P-C4'-P energy: -88.410 tors. eta vs tors. theta energy: -145.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2038.254814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.254814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.254814 (E_RNA) where: Base-Base interactions energy: -1341.548 where: short stacking energy: -647.062 Base-Backbone interact. energy: 0.623 local terms energy: -697.330207 where: bonds (distance) C4'-P energy: -123.269 bonds (distance) P-C4' energy: -153.095 flat angles C4'-P-C4' energy: -159.882 flat angles P-C4'-P energy: -84.649 tors. eta vs tors. theta energy: -176.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1918.596249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.596249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.596249 (E_RNA) where: Base-Base interactions energy: -1233.828 where: short stacking energy: -601.751 Base-Backbone interact. energy: -2.740 local terms energy: -682.028327 where: bonds (distance) C4'-P energy: -138.573 bonds (distance) P-C4' energy: -135.143 flat angles C4'-P-C4' energy: -156.428 flat angles P-C4'-P energy: -97.832 tors. eta vs tors. theta energy: -154.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1802.248600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.248600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.248600 (E_RNA) where: Base-Base interactions energy: -1177.013 where: short stacking energy: -518.502 Base-Backbone interact. energy: -1.699 local terms energy: -623.537029 where: bonds (distance) C4'-P energy: -138.133 bonds (distance) P-C4' energy: -125.168 flat angles C4'-P-C4' energy: -166.450 flat angles P-C4'-P energy: -80.845 tors. eta vs tors. theta energy: -112.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1580.414302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.414302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.414302 (E_RNA) where: Base-Base interactions energy: -978.215 where: short stacking energy: -460.508 Base-Backbone interact. energy: -1.530 local terms energy: -600.668609 where: bonds (distance) C4'-P energy: -134.883 bonds (distance) P-C4' energy: -138.200 flat angles C4'-P-C4' energy: -133.277 flat angles P-C4'-P energy: -94.693 tors. eta vs tors. theta energy: -99.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1104.899974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.899974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.899974 (E_RNA) where: Base-Base interactions energy: -596.330 where: short stacking energy: -329.491 Base-Backbone interact. energy: 0.978 local terms energy: -509.548315 where: bonds (distance) C4'-P energy: -124.502 bonds (distance) P-C4' energy: -133.919 flat angles C4'-P-C4' energy: -119.440 flat angles P-C4'-P energy: -86.801 tors. eta vs tors. theta energy: -44.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -994.918908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.918908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.918908 (E_RNA) where: Base-Base interactions energy: -548.131 where: short stacking energy: -309.239 Base-Backbone interact. energy: 0.514 local terms energy: -447.301407 where: bonds (distance) C4'-P energy: -104.791 bonds (distance) P-C4' energy: -127.639 flat angles C4'-P-C4' energy: -91.417 flat angles P-C4'-P energy: -81.681 tors. eta vs tors. theta energy: -41.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -876.961130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.961130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.961130 (E_RNA) where: Base-Base interactions energy: -436.205 where: short stacking energy: -235.533 Base-Backbone interact. energy: 5.090 local terms energy: -445.846207 where: bonds (distance) C4'-P energy: -116.973 bonds (distance) P-C4' energy: -140.305 flat angles C4'-P-C4' energy: -109.153 flat angles P-C4'-P energy: -82.762 tors. eta vs tors. theta energy: 3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -609.941531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.941531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.941531 (E_RNA) where: Base-Base interactions energy: -245.586 where: short stacking energy: -157.207 Base-Backbone interact. energy: 3.172 local terms energy: -368.484536 where: bonds (distance) C4'-P energy: -109.713 bonds (distance) P-C4' energy: -135.903 flat angles C4'-P-C4' energy: -82.065 flat angles P-C4'-P energy: -82.939 tors. eta vs tors. theta energy: 42.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.958 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2272.165482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.165482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.165482 (E_RNA) where: Base-Base interactions energy: -1509.335 where: short stacking energy: -707.241 Base-Backbone interact. energy: -0.102 local terms energy: -762.728604 where: bonds (distance) C4'-P energy: -148.104 bonds (distance) P-C4' energy: -158.678 flat angles C4'-P-C4' energy: -158.793 flat angles P-C4'-P energy: -97.100 tors. eta vs tors. theta energy: -200.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2089.727133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.727133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.727133 (E_RNA) where: Base-Base interactions energy: -1406.587 where: short stacking energy: -586.755 Base-Backbone interact. energy: -3.840 local terms energy: -679.300232 where: bonds (distance) C4'-P energy: -136.853 bonds (distance) P-C4' energy: -143.011 flat angles C4'-P-C4' energy: -156.452 flat angles P-C4'-P energy: -100.659 tors. eta vs tors. theta energy: -142.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1988.602851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.602851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.602851 (E_RNA) where: Base-Base interactions energy: -1292.624 where: short stacking energy: -575.050 Base-Backbone interact. energy: -2.840 local terms energy: -693.138999 where: bonds (distance) C4'-P energy: -141.670 bonds (distance) P-C4' energy: -151.207 flat angles C4'-P-C4' energy: -133.893 flat angles P-C4'-P energy: -89.885 tors. eta vs tors. theta energy: -176.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1938.807228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.807228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.807228 (E_RNA) where: Base-Base interactions energy: -1280.777 where: short stacking energy: -575.069 Base-Backbone interact. energy: -1.704 local terms energy: -656.326474 where: bonds (distance) C4'-P energy: -137.656 bonds (distance) P-C4' energy: -156.683 flat angles C4'-P-C4' energy: -145.394 flat angles P-C4'-P energy: -83.052 tors. eta vs tors. theta energy: -133.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1777.589881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.589881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.589881 (E_RNA) where: Base-Base interactions energy: -1114.774 where: short stacking energy: -533.757 Base-Backbone interact. energy: 0.318 local terms energy: -663.134224 where: bonds (distance) C4'-P energy: -139.434 bonds (distance) P-C4' energy: -154.328 flat angles C4'-P-C4' energy: -140.561 flat angles P-C4'-P energy: -85.703 tors. eta vs tors. theta energy: -143.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1646.675722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.675722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.675722 (E_RNA) where: Base-Base interactions energy: -1063.757 where: short stacking energy: -471.326 Base-Backbone interact. energy: -3.266 local terms energy: -579.651974 where: bonds (distance) C4'-P energy: -124.340 bonds (distance) P-C4' energy: -133.809 flat angles C4'-P-C4' energy: -134.851 flat angles P-C4'-P energy: -91.645 tors. eta vs tors. theta energy: -95.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1077.557792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.557792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.557792 (E_RNA) where: Base-Base interactions energy: -559.520 where: short stacking energy: -303.516 Base-Backbone interact. energy: 1.384 local terms energy: -519.422027 where: bonds (distance) C4'-P energy: -124.089 bonds (distance) P-C4' energy: -146.574 flat angles C4'-P-C4' energy: -121.664 flat angles P-C4'-P energy: -72.632 tors. eta vs tors. theta energy: -54.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1070.559815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.559815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.559815 (E_RNA) where: Base-Base interactions energy: -596.479 where: short stacking energy: -324.756 Base-Backbone interact. energy: -4.525 local terms energy: -469.556369 where: bonds (distance) C4'-P energy: -134.007 bonds (distance) P-C4' energy: -133.453 flat angles C4'-P-C4' energy: -116.036 flat angles P-C4'-P energy: -60.454 tors. eta vs tors. theta energy: -25.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -801.513474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.513474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.513474 (E_RNA) where: Base-Base interactions energy: -411.796 where: short stacking energy: -249.007 Base-Backbone interact. energy: -2.173 local terms energy: -387.544864 where: bonds (distance) C4'-P energy: -95.394 bonds (distance) P-C4' energy: -128.234 flat angles C4'-P-C4' energy: -106.890 flat angles P-C4'-P energy: -58.007 tors. eta vs tors. theta energy: 0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -661.245706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.245706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.245706 (E_RNA) where: Base-Base interactions energy: -271.914 where: short stacking energy: -197.793 Base-Backbone interact. energy: -1.867 local terms energy: -387.464557 where: bonds (distance) C4'-P energy: -113.883 bonds (distance) P-C4' energy: -137.195 flat angles C4'-P-C4' energy: -93.883 flat angles P-C4'-P energy: -65.044 tors. eta vs tors. theta energy: 22.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2261.061372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.061372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.061372 (E_RNA) where: Base-Base interactions energy: -1497.527 where: short stacking energy: -721.078 Base-Backbone interact. energy: -3.052 local terms energy: -760.482913 where: bonds (distance) C4'-P energy: -148.322 bonds (distance) P-C4' energy: -150.617 flat angles C4'-P-C4' energy: -158.595 flat angles P-C4'-P energy: -104.653 tors. eta vs tors. theta energy: -198.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2087.771988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.771988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.771988 (E_RNA) where: Base-Base interactions energy: -1387.791 where: short stacking energy: -609.429 Base-Backbone interact. energy: -1.242 local terms energy: -698.738663 where: bonds (distance) C4'-P energy: -142.264 bonds (distance) P-C4' energy: -145.567 flat angles C4'-P-C4' energy: -160.752 flat angles P-C4'-P energy: -95.621 tors. eta vs tors. theta energy: -154.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2003.826882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.826882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.826882 (E_RNA) where: Base-Base interactions energy: -1350.043 where: short stacking energy: -574.428 Base-Backbone interact. energy: -1.665 local terms energy: -652.119278 where: bonds (distance) C4'-P energy: -124.926 bonds (distance) P-C4' energy: -153.332 flat angles C4'-P-C4' energy: -138.911 flat angles P-C4'-P energy: -95.353 tors. eta vs tors. theta energy: -139.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1909.133297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.133297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.133297 (E_RNA) where: Base-Base interactions energy: -1260.535 where: short stacking energy: -599.749 Base-Backbone interact. energy: -3.046 local terms energy: -645.551798 where: bonds (distance) C4'-P energy: -131.743 bonds (distance) P-C4' energy: -146.645 flat angles C4'-P-C4' energy: -132.379 flat angles P-C4'-P energy: -90.375 tors. eta vs tors. theta energy: -144.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1756.785173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.785173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.785173 (E_RNA) where: Base-Base interactions energy: -1129.571 where: short stacking energy: -501.131 Base-Backbone interact. energy: 6.068 local terms energy: -633.283036 where: bonds (distance) C4'-P energy: -113.528 bonds (distance) P-C4' energy: -139.134 flat angles C4'-P-C4' energy: -147.989 flat angles P-C4'-P energy: -102.731 tors. eta vs tors. theta energy: -129.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1640.280845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.280845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.280845 (E_RNA) where: Base-Base interactions energy: -1067.038 where: short stacking energy: -475.133 Base-Backbone interact. energy: -0.918 local terms energy: -572.325304 where: bonds (distance) C4'-P energy: -113.122 bonds (distance) P-C4' energy: -132.986 flat angles C4'-P-C4' energy: -129.522 flat angles P-C4'-P energy: -88.168 tors. eta vs tors. theta energy: -108.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1097.445019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.445019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.445019 (E_RNA) where: Base-Base interactions energy: -565.249 where: short stacking energy: -328.836 Base-Backbone interact. energy: 5.224 local terms energy: -537.419679 where: bonds (distance) C4'-P energy: -118.151 bonds (distance) P-C4' energy: -136.359 flat angles C4'-P-C4' energy: -134.567 flat angles P-C4'-P energy: -87.557 tors. eta vs tors. theta energy: -60.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -961.190514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.190514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.190514 (E_RNA) where: Base-Base interactions energy: -505.428 where: short stacking energy: -269.509 Base-Backbone interact. energy: 0.638 local terms energy: -456.400083 where: bonds (distance) C4'-P energy: -119.106 bonds (distance) P-C4' energy: -133.453 flat angles C4'-P-C4' energy: -126.905 flat angles P-C4'-P energy: -43.159 tors. eta vs tors. theta energy: -33.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -771.372583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.372583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.372583 (E_RNA) where: Base-Base interactions energy: -359.663 where: short stacking energy: -193.649 Base-Backbone interact. energy: 2.151 local terms energy: -413.860509 where: bonds (distance) C4'-P energy: -130.669 bonds (distance) P-C4' energy: -139.167 flat angles C4'-P-C4' energy: -96.833 flat angles P-C4'-P energy: -50.433 tors. eta vs tors. theta energy: 3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -602.663244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.663244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.663244 (E_RNA) where: Base-Base interactions energy: -230.411 where: short stacking energy: -164.575 Base-Backbone interact. energy: 0.175 local terms energy: -372.427547 where: bonds (distance) C4'-P energy: -119.836 bonds (distance) P-C4' energy: -123.974 flat angles C4'-P-C4' energy: -98.956 flat angles P-C4'-P energy: -58.762 tors. eta vs tors. theta energy: 29.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2238.648732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.648732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.648732 (E_RNA) where: Base-Base interactions energy: -1460.054 where: short stacking energy: -676.649 Base-Backbone interact. energy: 0.787 local terms energy: -779.381604 where: bonds (distance) C4'-P energy: -151.624 bonds (distance) P-C4' energy: -142.471 flat angles C4'-P-C4' energy: -182.722 flat angles P-C4'-P energy: -103.365 tors. eta vs tors. theta energy: -199.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2133.655922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.655922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.655922 (E_RNA) where: Base-Base interactions energy: -1414.141 where: short stacking energy: -594.615 Base-Backbone interact. energy: 4.063 local terms energy: -723.578018 where: bonds (distance) C4'-P energy: -132.051 bonds (distance) P-C4' energy: -156.742 flat angles C4'-P-C4' energy: -159.709 flat angles P-C4'-P energy: -118.904 tors. eta vs tors. theta energy: -156.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2071.169763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.169763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.169763 (E_RNA) where: Base-Base interactions energy: -1382.743 where: short stacking energy: -619.112 Base-Backbone interact. energy: -2.961 local terms energy: -685.465633 where: bonds (distance) C4'-P energy: -133.587 bonds (distance) P-C4' energy: -152.571 flat angles C4'-P-C4' energy: -155.162 flat angles P-C4'-P energy: -107.254 tors. eta vs tors. theta energy: -136.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1941.347521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.347521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.347521 (E_RNA) where: Base-Base interactions energy: -1272.177 where: short stacking energy: -573.433 Base-Backbone interact. energy: 1.993 local terms energy: -671.163317 where: bonds (distance) C4'-P energy: -127.949 bonds (distance) P-C4' energy: -136.014 flat angles C4'-P-C4' energy: -148.117 flat angles P-C4'-P energy: -96.794 tors. eta vs tors. theta energy: -162.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1808.868091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.868091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.868091 (E_RNA) where: Base-Base interactions energy: -1155.613 where: short stacking energy: -544.744 Base-Backbone interact. energy: 0.508 local terms energy: -653.763388 where: bonds (distance) C4'-P energy: -145.233 bonds (distance) P-C4' energy: -134.637 flat angles C4'-P-C4' energy: -145.666 flat angles P-C4'-P energy: -82.791 tors. eta vs tors. theta energy: -145.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1662.820112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.820112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.820112 (E_RNA) where: Base-Base interactions energy: -1085.804 where: short stacking energy: -475.443 Base-Backbone interact. energy: 1.313 local terms energy: -578.329088 where: bonds (distance) C4'-P energy: -126.579 bonds (distance) P-C4' energy: -134.129 flat angles C4'-P-C4' energy: -139.905 flat angles P-C4'-P energy: -72.782 tors. eta vs tors. theta energy: -104.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1125.616035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.616035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.616035 (E_RNA) where: Base-Base interactions energy: -611.106 where: short stacking energy: -329.899 Base-Backbone interact. energy: -0.470 local terms energy: -514.039630 where: bonds (distance) C4'-P energy: -126.451 bonds (distance) P-C4' energy: -139.163 flat angles C4'-P-C4' energy: -121.376 flat angles P-C4'-P energy: -82.574 tors. eta vs tors. theta energy: -44.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1162.344008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.344008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.344008 (E_RNA) where: Base-Base interactions energy: -672.350 where: short stacking energy: -342.353 Base-Backbone interact. energy: -1.494 local terms energy: -488.500125 where: bonds (distance) C4'-P energy: -125.347 bonds (distance) P-C4' energy: -105.671 flat angles C4'-P-C4' energy: -135.346 flat angles P-C4'-P energy: -48.951 tors. eta vs tors. theta energy: -73.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -773.675906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.675906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.675906 (E_RNA) where: Base-Base interactions energy: -356.916 where: short stacking energy: -213.212 Base-Backbone interact. energy: -1.462 local terms energy: -415.297076 where: bonds (distance) C4'-P energy: -128.507 bonds (distance) P-C4' energy: -110.962 flat angles C4'-P-C4' energy: -108.926 flat angles P-C4'-P energy: -76.086 tors. eta vs tors. theta energy: 9.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -562.662336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.662336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.662336 (E_RNA) where: Base-Base interactions energy: -190.196 where: short stacking energy: -145.826 Base-Backbone interact. energy: -2.224 local terms energy: -370.242563 where: bonds (distance) C4'-P energy: -112.542 bonds (distance) P-C4' energy: -138.076 flat angles C4'-P-C4' energy: -96.466 flat angles P-C4'-P energy: -50.054 tors. eta vs tors. theta energy: 26.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2243.991889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.991889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.991889 (E_RNA) where: Base-Base interactions energy: -1474.932 where: short stacking energy: -660.016 Base-Backbone interact. energy: 0.378 local terms energy: -769.437627 where: bonds (distance) C4'-P energy: -155.188 bonds (distance) P-C4' energy: -154.977 flat angles C4'-P-C4' energy: -161.588 flat angles P-C4'-P energy: -109.531 tors. eta vs tors. theta energy: -188.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2162.207654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.207654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.207654 (E_RNA) where: Base-Base interactions energy: -1435.955 where: short stacking energy: -627.576 Base-Backbone interact. energy: -1.335 local terms energy: -724.917502 where: bonds (distance) C4'-P energy: -135.821 bonds (distance) P-C4' energy: -150.781 flat angles C4'-P-C4' energy: -168.410 flat angles P-C4'-P energy: -99.889 tors. eta vs tors. theta energy: -170.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2094.664134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.664134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.664134 (E_RNA) where: Base-Base interactions energy: -1397.621 where: short stacking energy: -593.880 Base-Backbone interact. energy: -1.737 local terms energy: -696.357894 where: bonds (distance) C4'-P energy: -132.618 bonds (distance) P-C4' energy: -155.228 flat angles C4'-P-C4' energy: -153.485 flat angles P-C4'-P energy: -87.909 tors. eta vs tors. theta energy: -167.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.052 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1949.395077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.395077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.395077 (E_RNA) where: Base-Base interactions energy: -1275.694 where: short stacking energy: -587.067 Base-Backbone interact. energy: -1.925 local terms energy: -671.776960 where: bonds (distance) C4'-P energy: -129.924 bonds (distance) P-C4' energy: -137.023 flat angles C4'-P-C4' energy: -147.472 flat angles P-C4'-P energy: -100.704 tors. eta vs tors. theta energy: -156.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1811.061302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.061302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.061302 (E_RNA) where: Base-Base interactions energy: -1169.494 where: short stacking energy: -519.560 Base-Backbone interact. energy: 0.567 local terms energy: -642.134449 where: bonds (distance) C4'-P energy: -137.456 bonds (distance) P-C4' energy: -123.290 flat angles C4'-P-C4' energy: -139.716 flat angles P-C4'-P energy: -112.704 tors. eta vs tors. theta energy: -128.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1722.427893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.427893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.427893 (E_RNA) where: Base-Base interactions energy: -1150.790 where: short stacking energy: -506.203 Base-Backbone interact. energy: 0.817 local terms energy: -572.454707 where: bonds (distance) C4'-P energy: -111.553 bonds (distance) P-C4' energy: -124.264 flat angles C4'-P-C4' energy: -134.880 flat angles P-C4'-P energy: -80.896 tors. eta vs tors. theta energy: -120.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1166.154403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.154403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.154403 (E_RNA) where: Base-Base interactions energy: -647.447 where: short stacking energy: -347.745 Base-Backbone interact. energy: -1.173 local terms energy: -517.533955 where: bonds (distance) C4'-P energy: -121.414 bonds (distance) P-C4' energy: -124.204 flat angles C4'-P-C4' energy: -143.333 flat angles P-C4'-P energy: -78.267 tors. eta vs tors. theta energy: -50.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1119.197751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.197751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.197751 (E_RNA) where: Base-Base interactions energy: -617.926 where: short stacking energy: -336.775 Base-Backbone interact. energy: -4.395 local terms energy: -496.877253 where: bonds (distance) C4'-P energy: -123.118 bonds (distance) P-C4' energy: -145.057 flat angles C4'-P-C4' energy: -105.313 flat angles P-C4'-P energy: -61.519 tors. eta vs tors. theta energy: -61.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -783.092306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.092306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.092306 (E_RNA) where: Base-Base interactions energy: -392.459 where: short stacking energy: -225.043 Base-Backbone interact. energy: -0.310 local terms energy: -390.323904 where: bonds (distance) C4'-P energy: -102.794 bonds (distance) P-C4' energy: -135.812 flat angles C4'-P-C4' energy: -96.956 flat angles P-C4'-P energy: -60.615 tors. eta vs tors. theta energy: 5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -563.733233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.733233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.733233 (E_RNA) where: Base-Base interactions energy: -195.088 where: short stacking energy: -172.512 Base-Backbone interact. energy: 6.118 local terms energy: -374.762779 where: bonds (distance) C4'-P energy: -129.633 bonds (distance) P-C4' energy: -116.895 flat angles C4'-P-C4' energy: -103.513 flat angles P-C4'-P energy: -50.672 tors. eta vs tors. theta energy: 25.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2295.064261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.064261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.064261 (E_RNA) where: Base-Base interactions energy: -1515.302 where: short stacking energy: -695.825 Base-Backbone interact. energy: 0.358 local terms energy: -780.120469 where: bonds (distance) C4'-P energy: -160.577 bonds (distance) P-C4' energy: -144.965 flat angles C4'-P-C4' energy: -170.021 flat angles P-C4'-P energy: -107.328 tors. eta vs tors. theta energy: -197.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2152.465553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.465553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.465553 (E_RNA) where: Base-Base interactions energy: -1460.347 where: short stacking energy: -624.083 Base-Backbone interact. energy: -4.922 local terms energy: -687.196432 where: bonds (distance) C4'-P energy: -137.483 bonds (distance) P-C4' energy: -153.161 flat angles C4'-P-C4' energy: -145.934 flat angles P-C4'-P energy: -90.758 tors. eta vs tors. theta energy: -159.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2061.736798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.736798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.736798 (E_RNA) where: Base-Base interactions energy: -1398.686 where: short stacking energy: -617.534 Base-Backbone interact. energy: -1.812 local terms energy: -661.238119 where: bonds (distance) C4'-P energy: -118.160 bonds (distance) P-C4' energy: -131.858 flat angles C4'-P-C4' energy: -158.046 flat angles P-C4'-P energy: -89.190 tors. eta vs tors. theta energy: -163.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1992.450632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.450632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.450632 (E_RNA) where: Base-Base interactions energy: -1290.853 where: short stacking energy: -609.226 Base-Backbone interact. energy: -1.084 local terms energy: -700.514062 where: bonds (distance) C4'-P energy: -144.371 bonds (distance) P-C4' energy: -136.191 flat angles C4'-P-C4' energy: -162.473 flat angles P-C4'-P energy: -93.898 tors. eta vs tors. theta energy: -163.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1828.686770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.686770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.686770 (E_RNA) where: Base-Base interactions energy: -1202.055 where: short stacking energy: -497.363 Base-Backbone interact. energy: 3.773 local terms energy: -630.405544 where: bonds (distance) C4'-P energy: -152.140 bonds (distance) P-C4' energy: -134.113 flat angles C4'-P-C4' energy: -137.386 flat angles P-C4'-P energy: -93.288 tors. eta vs tors. theta energy: -113.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1706.785475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.785475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.785475 (E_RNA) where: Base-Base interactions energy: -1127.293 where: short stacking energy: -504.240 Base-Backbone interact. energy: -2.353 local terms energy: -577.139718 where: bonds (distance) C4'-P energy: -120.076 bonds (distance) P-C4' energy: -144.148 flat angles C4'-P-C4' energy: -121.618 flat angles P-C4'-P energy: -80.564 tors. eta vs tors. theta energy: -110.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1236.345219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.345219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.345219 (E_RNA) where: Base-Base interactions energy: -747.451 where: short stacking energy: -359.795 Base-Backbone interact. energy: -1.486 local terms energy: -487.408335 where: bonds (distance) C4'-P energy: -119.984 bonds (distance) P-C4' energy: -135.004 flat angles C4'-P-C4' energy: -131.795 flat angles P-C4'-P energy: -61.760 tors. eta vs tors. theta energy: -38.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1031.705361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.705361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.705361 (E_RNA) where: Base-Base interactions energy: -580.065 where: short stacking energy: -318.330 Base-Backbone interact. energy: 4.107 local terms energy: -455.748019 where: bonds (distance) C4'-P energy: -100.260 bonds (distance) P-C4' energy: -122.344 flat angles C4'-P-C4' energy: -135.228 flat angles P-C4'-P energy: -70.190 tors. eta vs tors. theta energy: -27.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -831.154259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.154259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.154259 (E_RNA) where: Base-Base interactions energy: -389.129 where: short stacking energy: -238.822 Base-Backbone interact. energy: -2.189 local terms energy: -439.836533 where: bonds (distance) C4'-P energy: -119.171 bonds (distance) P-C4' energy: -136.655 flat angles C4'-P-C4' energy: -115.729 flat angles P-C4'-P energy: -61.566 tors. eta vs tors. theta energy: -6.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -606.190093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.190093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.190093 (E_RNA) where: Base-Base interactions energy: -237.682 where: short stacking energy: -190.309 Base-Backbone interact. energy: 1.122 local terms energy: -369.630279 where: bonds (distance) C4'-P energy: -100.604 bonds (distance) P-C4' energy: -114.041 flat angles C4'-P-C4' energy: -102.482 flat angles P-C4'-P energy: -57.345 tors. eta vs tors. theta energy: 4.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2275.787818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.787818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.787818 (E_RNA) where: Base-Base interactions energy: -1544.407 where: short stacking energy: -696.368 Base-Backbone interact. energy: -3.788 local terms energy: -727.592404 where: bonds (distance) C4'-P energy: -151.157 bonds (distance) P-C4' energy: -133.647 flat angles C4'-P-C4' energy: -152.649 flat angles P-C4'-P energy: -99.387 tors. eta vs tors. theta energy: -190.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2176.223126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.223126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.223126 (E_RNA) where: Base-Base interactions energy: -1469.695 where: short stacking energy: -657.615 Base-Backbone interact. energy: -1.884 local terms energy: -704.644832 where: bonds (distance) C4'-P energy: -136.922 bonds (distance) P-C4' energy: -142.385 flat angles C4'-P-C4' energy: -162.627 flat angles P-C4'-P energy: -101.990 tors. eta vs tors. theta energy: -160.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2080.620241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.620241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.620241 (E_RNA) where: Base-Base interactions energy: -1377.742 where: short stacking energy: -595.726 Base-Backbone interact. energy: -4.101 local terms energy: -698.776647 where: bonds (distance) C4'-P energy: -135.845 bonds (distance) P-C4' energy: -152.641 flat angles C4'-P-C4' energy: -162.781 flat angles P-C4'-P energy: -90.408 tors. eta vs tors. theta energy: -157.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1992.004950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.004950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.004950 (E_RNA) where: Base-Base interactions energy: -1285.045 where: short stacking energy: -603.770 Base-Backbone interact. energy: -0.117 local terms energy: -706.842607 where: bonds (distance) C4'-P energy: -146.678 bonds (distance) P-C4' energy: -136.779 flat angles C4'-P-C4' energy: -158.875 flat angles P-C4'-P energy: -101.455 tors. eta vs tors. theta energy: -163.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1810.753506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.753506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.753506 (E_RNA) where: Base-Base interactions energy: -1194.507 where: short stacking energy: -523.076 Base-Backbone interact. energy: -2.646 local terms energy: -613.600688 where: bonds (distance) C4'-P energy: -126.370 bonds (distance) P-C4' energy: -132.371 flat angles C4'-P-C4' energy: -139.177 flat angles P-C4'-P energy: -91.403 tors. eta vs tors. theta energy: -124.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1655.753977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.753977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.753977 (E_RNA) where: Base-Base interactions energy: -1062.459 where: short stacking energy: -470.728 Base-Backbone interact. energy: -1.297 local terms energy: -591.997563 where: bonds (distance) C4'-P energy: -113.747 bonds (distance) P-C4' energy: -148.804 flat angles C4'-P-C4' energy: -134.422 flat angles P-C4'-P energy: -86.795 tors. eta vs tors. theta energy: -108.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1322.133957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.133957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.133957 (E_RNA) where: Base-Base interactions energy: -783.336 where: short stacking energy: -379.314 Base-Backbone interact. energy: -3.147 local terms energy: -535.651494 where: bonds (distance) C4'-P energy: -112.500 bonds (distance) P-C4' energy: -144.055 flat angles C4'-P-C4' energy: -135.908 flat angles P-C4'-P energy: -88.572 tors. eta vs tors. theta energy: -54.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1061.984633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.984633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.984633 (E_RNA) where: Base-Base interactions energy: -599.333 where: short stacking energy: -299.252 Base-Backbone interact. energy: -0.180 local terms energy: -462.472211 where: bonds (distance) C4'-P energy: -117.448 bonds (distance) P-C4' energy: -120.522 flat angles C4'-P-C4' energy: -113.576 flat angles P-C4'-P energy: -67.601 tors. eta vs tors. theta energy: -43.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -820.555384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.555384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.555384 (E_RNA) where: Base-Base interactions energy: -408.984 where: short stacking energy: -239.332 Base-Backbone interact. energy: 0.377 local terms energy: -411.948505 where: bonds (distance) C4'-P energy: -108.553 bonds (distance) P-C4' energy: -122.605 flat angles C4'-P-C4' energy: -107.020 flat angles P-C4'-P energy: -52.696 tors. eta vs tors. theta energy: -21.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -568.457871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.457871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.457871 (E_RNA) where: Base-Base interactions energy: -215.630 where: short stacking energy: -152.921 Base-Backbone interact. energy: -1.465 local terms energy: -351.363522 where: bonds (distance) C4'-P energy: -135.644 bonds (distance) P-C4' energy: -109.529 flat angles C4'-P-C4' energy: -95.500 flat angles P-C4'-P energy: -55.889 tors. eta vs tors. theta energy: 45.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2291.943296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.943296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.943296 (E_RNA) where: Base-Base interactions energy: -1528.852 where: short stacking energy: -684.903 Base-Backbone interact. energy: 3.738 local terms energy: -766.829628 where: bonds (distance) C4'-P energy: -132.179 bonds (distance) P-C4' energy: -145.102 flat angles C4'-P-C4' energy: -178.118 flat angles P-C4'-P energy: -115.877 tors. eta vs tors. theta energy: -195.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2207.042979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.042979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.042979 (E_RNA) where: Base-Base interactions energy: -1495.419 where: short stacking energy: -669.425 Base-Backbone interact. energy: -4.420 local terms energy: -707.204144 where: bonds (distance) C4'-P energy: -132.177 bonds (distance) P-C4' energy: -153.347 flat angles C4'-P-C4' energy: -160.059 flat angles P-C4'-P energy: -97.945 tors. eta vs tors. theta energy: -163.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2110.620079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.620079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.620079 (E_RNA) where: Base-Base interactions energy: -1401.619 where: short stacking energy: -616.379 Base-Backbone interact. energy: 3.742 local terms energy: -712.743876 where: bonds (distance) C4'-P energy: -123.656 bonds (distance) P-C4' energy: -154.887 flat angles C4'-P-C4' energy: -159.663 flat angles P-C4'-P energy: -103.585 tors. eta vs tors. theta energy: -170.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1932.034918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.034918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.034918 (E_RNA) where: Base-Base interactions energy: -1270.652 where: short stacking energy: -582.023 Base-Backbone interact. energy: -2.104 local terms energy: -659.279649 where: bonds (distance) C4'-P energy: -129.986 bonds (distance) P-C4' energy: -135.722 flat angles C4'-P-C4' energy: -157.302 flat angles P-C4'-P energy: -85.027 tors. eta vs tors. theta energy: -151.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1726.393345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.393345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.393345 (E_RNA) where: Base-Base interactions energy: -1136.903 where: short stacking energy: -515.478 Base-Backbone interact. energy: -3.195 local terms energy: -586.295334 where: bonds (distance) C4'-P energy: -114.390 bonds (distance) P-C4' energy: -110.792 flat angles C4'-P-C4' energy: -144.063 flat angles P-C4'-P energy: -102.153 tors. eta vs tors. theta energy: -114.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1700.475991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.475991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.475991 (E_RNA) where: Base-Base interactions energy: -1120.430 where: short stacking energy: -490.238 Base-Backbone interact. energy: -1.510 local terms energy: -578.535585 where: bonds (distance) C4'-P energy: -133.584 bonds (distance) P-C4' energy: -131.170 flat angles C4'-P-C4' energy: -120.344 flat angles P-C4'-P energy: -82.872 tors. eta vs tors. theta energy: -110.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1375.539142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.539142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.539142 (E_RNA) where: Base-Base interactions energy: -834.364 where: short stacking energy: -407.476 Base-Backbone interact. energy: -1.995 local terms energy: -539.180399 where: bonds (distance) C4'-P energy: -127.345 bonds (distance) P-C4' energy: -135.313 flat angles C4'-P-C4' energy: -129.372 flat angles P-C4'-P energy: -69.554 tors. eta vs tors. theta energy: -77.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1068.176232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.176232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.176232 (E_RNA) where: Base-Base interactions energy: -591.624 where: short stacking energy: -302.936 Base-Backbone interact. energy: -1.198 local terms energy: -475.354992 where: bonds (distance) C4'-P energy: -120.307 bonds (distance) P-C4' energy: -132.544 flat angles C4'-P-C4' energy: -117.536 flat angles P-C4'-P energy: -76.847 tors. eta vs tors. theta energy: -28.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -741.547825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.547825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.547825 (E_RNA) where: Base-Base interactions energy: -330.578 where: short stacking energy: -180.575 Base-Backbone interact. energy: 1.806 local terms energy: -412.775434 where: bonds (distance) C4'-P energy: -123.757 bonds (distance) P-C4' energy: -130.494 flat angles C4'-P-C4' energy: -98.154 flat angles P-C4'-P energy: -71.968 tors. eta vs tors. theta energy: 11.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -568.344221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.344221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.344221 (E_RNA) where: Base-Base interactions energy: -184.910 where: short stacking energy: -152.043 Base-Backbone interact. energy: 1.172 local terms energy: -384.606194 where: bonds (distance) C4'-P energy: -110.551 bonds (distance) P-C4' energy: -118.002 flat angles C4'-P-C4' energy: -106.608 flat angles P-C4'-P energy: -63.888 tors. eta vs tors. theta energy: 14.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2327.346785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.346785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.346785 (E_RNA) where: Base-Base interactions energy: -1566.383 where: short stacking energy: -710.626 Base-Backbone interact. energy: 0.804 local terms energy: -761.768003 where: bonds (distance) C4'-P energy: -141.992 bonds (distance) P-C4' energy: -158.955 flat angles C4'-P-C4' energy: -168.501 flat angles P-C4'-P energy: -97.782 tors. eta vs tors. theta energy: -194.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2205.224859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.224859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.224859 (E_RNA) where: Base-Base interactions energy: -1476.635 where: short stacking energy: -642.587 Base-Backbone interact. energy: 0.236 local terms energy: -728.825696 where: bonds (distance) C4'-P energy: -146.012 bonds (distance) P-C4' energy: -145.465 flat angles C4'-P-C4' energy: -164.129 flat angles P-C4'-P energy: -108.339 tors. eta vs tors. theta energy: -164.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2130.356692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.356692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.356692 (E_RNA) where: Base-Base interactions energy: -1427.258 where: short stacking energy: -653.836 Base-Backbone interact. energy: 2.247 local terms energy: -705.344897 where: bonds (distance) C4'-P energy: -133.453 bonds (distance) P-C4' energy: -139.961 flat angles C4'-P-C4' energy: -160.883 flat angles P-C4'-P energy: -105.715 tors. eta vs tors. theta energy: -165.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1903.942949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.942949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.942949 (E_RNA) where: Base-Base interactions energy: -1226.463 where: short stacking energy: -568.196 Base-Backbone interact. energy: 0.845 local terms energy: -678.324522 where: bonds (distance) C4'-P energy: -133.306 bonds (distance) P-C4' energy: -143.356 flat angles C4'-P-C4' energy: -155.479 flat angles P-C4'-P energy: -88.966 tors. eta vs tors. theta energy: -157.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1777.281328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.281328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.281328 (E_RNA) where: Base-Base interactions energy: -1137.429 where: short stacking energy: -537.479 Base-Backbone interact. energy: -0.468 local terms energy: -639.383878 where: bonds (distance) C4'-P energy: -140.922 bonds (distance) P-C4' energy: -125.007 flat angles C4'-P-C4' energy: -138.867 flat angles P-C4'-P energy: -88.324 tors. eta vs tors. theta energy: -146.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1683.194264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.194264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.194264 (E_RNA) where: Base-Base interactions energy: -1092.972 where: short stacking energy: -486.300 Base-Backbone interact. energy: -1.490 local terms energy: -588.732261 where: bonds (distance) C4'-P energy: -129.154 bonds (distance) P-C4' energy: -122.097 flat angles C4'-P-C4' energy: -138.061 flat angles P-C4'-P energy: -74.930 tors. eta vs tors. theta energy: -124.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1412.730010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.730010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.730010 (E_RNA) where: Base-Base interactions energy: -871.202 where: short stacking energy: -402.767 Base-Backbone interact. energy: -2.870 local terms energy: -538.657659 where: bonds (distance) C4'-P energy: -126.928 bonds (distance) P-C4' energy: -115.590 flat angles C4'-P-C4' energy: -126.894 flat angles P-C4'-P energy: -93.185 tors. eta vs tors. theta energy: -76.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1001.928152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.928152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.928152 (E_RNA) where: Base-Base interactions energy: -517.448 where: short stacking energy: -268.061 Base-Backbone interact. energy: -1.738 local terms energy: -482.742123 where: bonds (distance) C4'-P energy: -117.305 bonds (distance) P-C4' energy: -124.462 flat angles C4'-P-C4' energy: -140.504 flat angles P-C4'-P energy: -70.876 tors. eta vs tors. theta energy: -29.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -747.528507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.528507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.528507 (E_RNA) where: Base-Base interactions energy: -331.672 where: short stacking energy: -199.623 Base-Backbone interact. energy: 6.127 local terms energy: -421.983663 where: bonds (distance) C4'-P energy: -118.767 bonds (distance) P-C4' energy: -125.103 flat angles C4'-P-C4' energy: -110.407 flat angles P-C4'-P energy: -62.512 tors. eta vs tors. theta energy: -5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -562.070518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.070518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.070518 (E_RNA) where: Base-Base interactions energy: -191.349 where: short stacking energy: -171.013 Base-Backbone interact. energy: -1.849 local terms energy: -368.872266 where: bonds (distance) C4'-P energy: -95.088 bonds (distance) P-C4' energy: -124.931 flat angles C4'-P-C4' energy: -121.393 flat angles P-C4'-P energy: -54.245 tors. eta vs tors. theta energy: 26.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2297.949527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.949527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.949527 (E_RNA) where: Base-Base interactions energy: -1515.747 where: short stacking energy: -699.646 Base-Backbone interact. energy: -0.941 local terms energy: -781.261745 where: bonds (distance) C4'-P energy: -143.739 bonds (distance) P-C4' energy: -157.390 flat angles C4'-P-C4' energy: -165.008 flat angles P-C4'-P energy: -105.363 tors. eta vs tors. theta energy: -209.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2229.659838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.659838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.659838 (E_RNA) where: Base-Base interactions energy: -1496.904 where: short stacking energy: -682.818 Base-Backbone interact. energy: -2.756 local terms energy: -729.999603 where: bonds (distance) C4'-P energy: -155.294 bonds (distance) P-C4' energy: -151.627 flat angles C4'-P-C4' energy: -154.782 flat angles P-C4'-P energy: -81.634 tors. eta vs tors. theta energy: -186.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2170.594304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.594304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.594304 (E_RNA) where: Base-Base interactions energy: -1439.278 where: short stacking energy: -648.291 Base-Backbone interact. energy: -2.304 local terms energy: -729.011506 where: bonds (distance) C4'-P energy: -140.478 bonds (distance) P-C4' energy: -153.595 flat angles C4'-P-C4' energy: -154.526 flat angles P-C4'-P energy: -95.028 tors. eta vs tors. theta energy: -185.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1948.986416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.986416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.986416 (E_RNA) where: Base-Base interactions energy: -1255.260 where: short stacking energy: -578.659 Base-Backbone interact. energy: -1.861 local terms energy: -691.865004 where: bonds (distance) C4'-P energy: -155.725 bonds (distance) P-C4' energy: -128.042 flat angles C4'-P-C4' energy: -155.984 flat angles P-C4'-P energy: -94.554 tors. eta vs tors. theta energy: -157.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1808.091696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.091696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.091696 (E_RNA) where: Base-Base interactions energy: -1182.214 where: short stacking energy: -565.904 Base-Backbone interact. energy: 3.754 local terms energy: -629.631258 where: bonds (distance) C4'-P energy: -130.185 bonds (distance) P-C4' energy: -116.228 flat angles C4'-P-C4' energy: -140.992 flat angles P-C4'-P energy: -88.049 tors. eta vs tors. theta energy: -154.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1671.177801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.177801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.177801 (E_RNA) where: Base-Base interactions energy: -1067.665 where: short stacking energy: -493.674 Base-Backbone interact. energy: -1.174 local terms energy: -602.338988 where: bonds (distance) C4'-P energy: -117.257 bonds (distance) P-C4' energy: -137.174 flat angles C4'-P-C4' energy: -134.655 flat angles P-C4'-P energy: -94.110 tors. eta vs tors. theta energy: -119.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1342.129615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.129615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.129615 (E_RNA) where: Base-Base interactions energy: -837.801 where: short stacking energy: -403.002 Base-Backbone interact. energy: 2.754 local terms energy: -507.081895 where: bonds (distance) C4'-P energy: -119.670 bonds (distance) P-C4' energy: -118.382 flat angles C4'-P-C4' energy: -125.749 flat angles P-C4'-P energy: -81.735 tors. eta vs tors. theta energy: -61.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1084.117221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.117221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.117221 (E_RNA) where: Base-Base interactions energy: -612.247 where: short stacking energy: -304.725 Base-Backbone interact. energy: -2.525 local terms energy: -469.344842 where: bonds (distance) C4'-P energy: -127.325 bonds (distance) P-C4' energy: -118.098 flat angles C4'-P-C4' energy: -110.698 flat angles P-C4'-P energy: -79.639 tors. eta vs tors. theta energy: -33.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -821.094710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.094710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.094710 (E_RNA) where: Base-Base interactions energy: -404.226 where: short stacking energy: -241.785 Base-Backbone interact. energy: 1.642 local terms energy: -418.510675 where: bonds (distance) C4'-P energy: -143.245 bonds (distance) P-C4' energy: -111.332 flat angles C4'-P-C4' energy: -114.065 flat angles P-C4'-P energy: -55.235 tors. eta vs tors. theta energy: 5.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -618.419974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.419974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.419974 (E_RNA) where: Base-Base interactions energy: -259.534 where: short stacking energy: -175.403 Base-Backbone interact. energy: 2.436 local terms energy: -361.322759 where: bonds (distance) C4'-P energy: -118.057 bonds (distance) P-C4' energy: -123.413 flat angles C4'-P-C4' energy: -89.716 flat angles P-C4'-P energy: -64.033 tors. eta vs tors. theta energy: 33.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2301.064819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.064819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.064819 (E_RNA) where: Base-Base interactions energy: -1545.837 where: short stacking energy: -668.502 Base-Backbone interact. energy: -2.030 local terms energy: -753.197592 where: bonds (distance) C4'-P energy: -148.049 bonds (distance) P-C4' energy: -150.135 flat angles C4'-P-C4' energy: -168.662 flat angles P-C4'-P energy: -94.117 tors. eta vs tors. theta energy: -192.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2192.451294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.451294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.451294 (E_RNA) where: Base-Base interactions energy: -1477.228 where: short stacking energy: -636.620 Base-Backbone interact. energy: -3.168 local terms energy: -712.055158 where: bonds (distance) C4'-P energy: -145.369 bonds (distance) P-C4' energy: -141.263 flat angles C4'-P-C4' energy: -154.412 flat angles P-C4'-P energy: -114.817 tors. eta vs tors. theta energy: -156.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2139.746366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.746366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.746366 (E_RNA) where: Base-Base interactions energy: -1413.148 where: short stacking energy: -621.209 Base-Backbone interact. energy: -2.945 local terms energy: -723.653898 where: bonds (distance) C4'-P energy: -140.844 bonds (distance) P-C4' energy: -156.208 flat angles C4'-P-C4' energy: -159.112 flat angles P-C4'-P energy: -92.069 tors. eta vs tors. theta energy: -175.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1903.435507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.435507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.435507 (E_RNA) where: Base-Base interactions energy: -1242.552 where: short stacking energy: -554.177 Base-Backbone interact. energy: -4.694 local terms energy: -656.189040 where: bonds (distance) C4'-P energy: -148.966 bonds (distance) P-C4' energy: -134.707 flat angles C4'-P-C4' energy: -158.012 flat angles P-C4'-P energy: -81.100 tors. eta vs tors. theta energy: -133.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1764.014849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.014849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.014849 (E_RNA) where: Base-Base interactions energy: -1121.498 where: short stacking energy: -521.542 Base-Backbone interact. energy: 0.263 local terms energy: -642.779732 where: bonds (distance) C4'-P energy: -133.745 bonds (distance) P-C4' energy: -143.063 flat angles C4'-P-C4' energy: -140.078 flat angles P-C4'-P energy: -93.443 tors. eta vs tors. theta energy: -132.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1651.656971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.656971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.656971 (E_RNA) where: Base-Base interactions energy: -1068.977 where: short stacking energy: -485.454 Base-Backbone interact. energy: -3.373 local terms energy: -579.306535 where: bonds (distance) C4'-P energy: -121.824 bonds (distance) P-C4' energy: -136.469 flat angles C4'-P-C4' energy: -141.702 flat angles P-C4'-P energy: -88.934 tors. eta vs tors. theta energy: -90.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1365.133670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.133670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.133670 (E_RNA) where: Base-Base interactions energy: -813.938 where: short stacking energy: -409.984 Base-Backbone interact. energy: 3.797 local terms energy: -554.993031 where: bonds (distance) C4'-P energy: -116.987 bonds (distance) P-C4' energy: -133.012 flat angles C4'-P-C4' energy: -139.730 flat angles P-C4'-P energy: -81.498 tors. eta vs tors. theta energy: -83.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1074.156490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.156490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.156490 (E_RNA) where: Base-Base interactions energy: -596.437 where: short stacking energy: -309.727 Base-Backbone interact. energy: -0.182 local terms energy: -477.537506 where: bonds (distance) C4'-P energy: -119.219 bonds (distance) P-C4' energy: -117.672 flat angles C4'-P-C4' energy: -121.970 flat angles P-C4'-P energy: -79.570 tors. eta vs tors. theta energy: -39.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -868.635154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.635154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.635154 (E_RNA) where: Base-Base interactions energy: -420.952 where: short stacking energy: -232.146 Base-Backbone interact. energy: -1.097 local terms energy: -446.585680 where: bonds (distance) C4'-P energy: -117.543 bonds (distance) P-C4' energy: -129.762 flat angles C4'-P-C4' energy: -134.869 flat angles P-C4'-P energy: -73.094 tors. eta vs tors. theta energy: 8.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -604.170388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.170388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.170388 (E_RNA) where: Base-Base interactions energy: -235.252 where: short stacking energy: -184.194 Base-Backbone interact. energy: 2.766 local terms energy: -371.684633 where: bonds (distance) C4'-P energy: -119.561 bonds (distance) P-C4' energy: -117.679 flat angles C4'-P-C4' energy: -89.116 flat angles P-C4'-P energy: -56.801 tors. eta vs tors. theta energy: 11.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2361.753193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.753193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.753193 (E_RNA) where: Base-Base interactions energy: -1593.166 where: short stacking energy: -689.996 Base-Backbone interact. energy: 6.459 local terms energy: -775.046990 where: bonds (distance) C4'-P energy: -159.777 bonds (distance) P-C4' energy: -154.400 flat angles C4'-P-C4' energy: -178.014 flat angles P-C4'-P energy: -105.708 tors. eta vs tors. theta energy: -177.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2168.065262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.065262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.065262 (E_RNA) where: Base-Base interactions energy: -1453.089 where: short stacking energy: -629.791 Base-Backbone interact. energy: -4.819 local terms energy: -710.157214 where: bonds (distance) C4'-P energy: -128.362 bonds (distance) P-C4' energy: -155.792 flat angles C4'-P-C4' energy: -153.328 flat angles P-C4'-P energy: -107.175 tors. eta vs tors. theta energy: -165.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2116.170479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.170479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.170479 (E_RNA) where: Base-Base interactions energy: -1397.330 where: short stacking energy: -605.030 Base-Backbone interact. energy: -1.225 local terms energy: -717.615954 where: bonds (distance) C4'-P energy: -137.729 bonds (distance) P-C4' energy: -142.661 flat angles C4'-P-C4' energy: -158.899 flat angles P-C4'-P energy: -113.649 tors. eta vs tors. theta energy: -164.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1929.196959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.196959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.196959 (E_RNA) where: Base-Base interactions energy: -1291.833 where: short stacking energy: -565.508 Base-Backbone interact. energy: 1.212 local terms energy: -638.876348 where: bonds (distance) C4'-P energy: -130.819 bonds (distance) P-C4' energy: -146.527 flat angles C4'-P-C4' energy: -149.832 flat angles P-C4'-P energy: -80.325 tors. eta vs tors. theta energy: -131.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.300 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1773.625555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.625555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.625555 (E_RNA) where: Base-Base interactions energy: -1160.535 where: short stacking energy: -514.864 Base-Backbone interact. energy: -2.209 local terms energy: -610.881351 where: bonds (distance) C4'-P energy: -126.735 bonds (distance) P-C4' energy: -134.700 flat angles C4'-P-C4' energy: -143.756 flat angles P-C4'-P energy: -73.760 tors. eta vs tors. theta energy: -131.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1688.622241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.622241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.622241 (E_RNA) where: Base-Base interactions energy: -1085.317 where: short stacking energy: -512.988 Base-Backbone interact. energy: -3.419 local terms energy: -599.886614 where: bonds (distance) C4'-P energy: -124.675 bonds (distance) P-C4' energy: -138.040 flat angles C4'-P-C4' energy: -145.687 flat angles P-C4'-P energy: -84.724 tors. eta vs tors. theta energy: -106.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1268.804538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.804538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.804538 (E_RNA) where: Base-Base interactions energy: -780.199 where: short stacking energy: -343.536 Base-Backbone interact. energy: 2.609 local terms energy: -491.214884 where: bonds (distance) C4'-P energy: -140.976 bonds (distance) P-C4' energy: -121.402 flat angles C4'-P-C4' energy: -127.577 flat angles P-C4'-P energy: -65.839 tors. eta vs tors. theta energy: -35.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1083.161477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.161477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.161477 (E_RNA) where: Base-Base interactions energy: -571.881 where: short stacking energy: -311.145 Base-Backbone interact. energy: 0.340 local terms energy: -511.620910 where: bonds (distance) C4'-P energy: -133.002 bonds (distance) P-C4' energy: -123.318 flat angles C4'-P-C4' energy: -114.959 flat angles P-C4'-P energy: -82.524 tors. eta vs tors. theta energy: -57.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -829.002216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.002216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.002216 (E_RNA) where: Base-Base interactions energy: -415.133 where: short stacking energy: -254.720 Base-Backbone interact. energy: 1.149 local terms energy: -418.199046 where: bonds (distance) C4'-P energy: -114.708 bonds (distance) P-C4' energy: -126.403 flat angles C4'-P-C4' energy: -92.786 flat angles P-C4'-P energy: -73.481 tors. eta vs tors. theta energy: -10.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.181 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -625.824704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.824704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.824704 (E_RNA) where: Base-Base interactions energy: -282.781 where: short stacking energy: -197.634 Base-Backbone interact. energy: 2.221 local terms energy: -345.264808 where: bonds (distance) C4'-P energy: -94.994 bonds (distance) P-C4' energy: -110.682 flat angles C4'-P-C4' energy: -110.650 flat angles P-C4'-P energy: -55.924 tors. eta vs tors. theta energy: 26.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2350.040590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.040590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.040590 (E_RNA) where: Base-Base interactions energy: -1587.038 where: short stacking energy: -680.648 Base-Backbone interact. energy: 0.048 local terms energy: -763.050192 where: bonds (distance) C4'-P energy: -157.423 bonds (distance) P-C4' energy: -150.349 flat angles C4'-P-C4' energy: -169.042 flat angles P-C4'-P energy: -99.717 tors. eta vs tors. theta energy: -186.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2211.776329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.776329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.776329 (E_RNA) where: Base-Base interactions energy: -1480.594 where: short stacking energy: -643.740 Base-Backbone interact. energy: -1.952 local terms energy: -729.230222 where: bonds (distance) C4'-P energy: -148.072 bonds (distance) P-C4' energy: -137.239 flat angles C4'-P-C4' energy: -167.594 flat angles P-C4'-P energy: -108.743 tors. eta vs tors. theta energy: -167.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2085.465733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.465733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.465733 (E_RNA) where: Base-Base interactions energy: -1420.950 where: short stacking energy: -595.666 Base-Backbone interact. energy: -1.792 local terms energy: -662.723434 where: bonds (distance) C4'-P energy: -126.193 bonds (distance) P-C4' energy: -146.712 flat angles C4'-P-C4' energy: -137.881 flat angles P-C4'-P energy: -97.725 tors. eta vs tors. theta energy: -154.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1903.984829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.984829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.984829 (E_RNA) where: Base-Base interactions energy: -1243.420 where: short stacking energy: -571.844 Base-Backbone interact. energy: 2.223 local terms energy: -662.787633 where: bonds (distance) C4'-P energy: -120.451 bonds (distance) P-C4' energy: -150.463 flat angles C4'-P-C4' energy: -149.349 flat angles P-C4'-P energy: -104.980 tors. eta vs tors. theta energy: -137.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1801.685472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.685472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.685472 (E_RNA) where: Base-Base interactions energy: -1197.176 where: short stacking energy: -533.966 Base-Backbone interact. energy: -0.862 local terms energy: -603.647493 where: bonds (distance) C4'-P energy: -126.901 bonds (distance) P-C4' energy: -147.443 flat angles C4'-P-C4' energy: -127.211 flat angles P-C4'-P energy: -95.349 tors. eta vs tors. theta energy: -106.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1583.697125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.697125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.697125 (E_RNA) where: Base-Base interactions energy: -1013.389 where: short stacking energy: -497.278 Base-Backbone interact. energy: 6.267 local terms energy: -576.574930 where: bonds (distance) C4'-P energy: -122.464 bonds (distance) P-C4' energy: -122.102 flat angles C4'-P-C4' energy: -134.759 flat angles P-C4'-P energy: -85.875 tors. eta vs tors. theta energy: -111.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1317.082847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.082847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.082847 (E_RNA) where: Base-Base interactions energy: -798.739 where: short stacking energy: -382.739 Base-Backbone interact. energy: -5.215 local terms energy: -513.129148 where: bonds (distance) C4'-P energy: -127.449 bonds (distance) P-C4' energy: -133.688 flat angles C4'-P-C4' energy: -107.412 flat angles P-C4'-P energy: -80.354 tors. eta vs tors. theta energy: -64.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1067.106118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.106118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.106118 (E_RNA) where: Base-Base interactions energy: -590.785 where: short stacking energy: -298.841 Base-Backbone interact. energy: 1.065 local terms energy: -477.385175 where: bonds (distance) C4'-P energy: -118.241 bonds (distance) P-C4' energy: -133.238 flat angles C4'-P-C4' energy: -110.142 flat angles P-C4'-P energy: -76.025 tors. eta vs tors. theta energy: -39.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -833.669438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.669438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.669438 (E_RNA) where: Base-Base interactions energy: -411.575 where: short stacking energy: -206.440 Base-Backbone interact. energy: 2.174 local terms energy: -424.268048 where: bonds (distance) C4'-P energy: -116.948 bonds (distance) P-C4' energy: -142.213 flat angles C4'-P-C4' energy: -99.823 flat angles P-C4'-P energy: -59.802 tors. eta vs tors. theta energy: -5.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -597.354903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.354903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.354903 (E_RNA) where: Base-Base interactions energy: -260.358 where: short stacking energy: -174.331 Base-Backbone interact. energy: 5.452 local terms energy: -342.449103 where: bonds (distance) C4'-P energy: -113.688 bonds (distance) P-C4' energy: -122.642 flat angles C4'-P-C4' energy: -82.747 flat angles P-C4'-P energy: -51.443 tors. eta vs tors. theta energy: 28.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2321.987075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.987075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.987075 (E_RNA) where: Base-Base interactions energy: -1578.266 where: short stacking energy: -679.495 Base-Backbone interact. energy: 0.983 local terms energy: -744.704384 where: bonds (distance) C4'-P energy: -134.571 bonds (distance) P-C4' energy: -143.821 flat angles C4'-P-C4' energy: -167.037 flat angles P-C4'-P energy: -104.068 tors. eta vs tors. theta energy: -195.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2188.059539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.059539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.059539 (E_RNA) where: Base-Base interactions energy: -1473.660 where: short stacking energy: -635.982 Base-Backbone interact. energy: -0.556 local terms energy: -713.843185 where: bonds (distance) C4'-P energy: -158.736 bonds (distance) P-C4' energy: -151.036 flat angles C4'-P-C4' energy: -154.220 flat angles P-C4'-P energy: -105.642 tors. eta vs tors. theta energy: -144.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2114.599546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.599546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.599546 (E_RNA) where: Base-Base interactions energy: -1412.170 where: short stacking energy: -592.510 Base-Backbone interact. energy: -0.486 local terms energy: -701.943980 where: bonds (distance) C4'-P energy: -151.052 bonds (distance) P-C4' energy: -149.407 flat angles C4'-P-C4' energy: -155.818 flat angles P-C4'-P energy: -91.995 tors. eta vs tors. theta energy: -153.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1916.928297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.928297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.928297 (E_RNA) where: Base-Base interactions energy: -1237.193 where: short stacking energy: -525.783 Base-Backbone interact. energy: -1.442 local terms energy: -678.292656 where: bonds (distance) C4'-P energy: -150.272 bonds (distance) P-C4' energy: -155.897 flat angles C4'-P-C4' energy: -140.649 flat angles P-C4'-P energy: -98.098 tors. eta vs tors. theta energy: -133.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1785.621572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.621572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.621572 (E_RNA) where: Base-Base interactions energy: -1160.226 where: short stacking energy: -522.899 Base-Backbone interact. energy: 0.064 local terms energy: -625.459006 where: bonds (distance) C4'-P energy: -106.390 bonds (distance) P-C4' energy: -130.299 flat angles C4'-P-C4' energy: -156.949 flat angles P-C4'-P energy: -103.614 tors. eta vs tors. theta energy: -128.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1579.727280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.727280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.727280 (E_RNA) where: Base-Base interactions energy: -988.516 where: short stacking energy: -440.065 Base-Backbone interact. energy: -0.447 local terms energy: -590.764300 where: bonds (distance) C4'-P energy: -124.019 bonds (distance) P-C4' energy: -136.412 flat angles C4'-P-C4' energy: -137.025 flat angles P-C4'-P energy: -86.252 tors. eta vs tors. theta energy: -107.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1359.401466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.401466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.401466 (E_RNA) where: Base-Base interactions energy: -841.045 where: short stacking energy: -411.156 Base-Backbone interact. energy: 6.494 local terms energy: -524.850323 where: bonds (distance) C4'-P energy: -131.490 bonds (distance) P-C4' energy: -141.761 flat angles C4'-P-C4' energy: -120.579 flat angles P-C4'-P energy: -64.642 tors. eta vs tors. theta energy: -66.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1132.714900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.714900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.714900 (E_RNA) where: Base-Base interactions energy: -641.325 where: short stacking energy: -321.883 Base-Backbone interact. energy: -4.329 local terms energy: -487.061542 where: bonds (distance) C4'-P energy: -108.385 bonds (distance) P-C4' energy: -132.510 flat angles C4'-P-C4' energy: -110.351 flat angles P-C4'-P energy: -86.508 tors. eta vs tors. theta energy: -49.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -845.495474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.495474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.495474 (E_RNA) where: Base-Base interactions energy: -408.337 where: short stacking energy: -233.127 Base-Backbone interact. energy: 1.210 local terms energy: -438.368631 where: bonds (distance) C4'-P energy: -124.817 bonds (distance) P-C4' energy: -134.431 flat angles C4'-P-C4' energy: -105.020 flat angles P-C4'-P energy: -76.669 tors. eta vs tors. theta energy: 2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -615.063898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.063898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.063898 (E_RNA) where: Base-Base interactions energy: -238.433 where: short stacking energy: -176.536 Base-Backbone interact. energy: -0.286 local terms energy: -376.344918 where: bonds (distance) C4'-P energy: -98.469 bonds (distance) P-C4' energy: -132.454 flat angles C4'-P-C4' energy: -116.350 flat angles P-C4'-P energy: -29.298 tors. eta vs tors. theta energy: 0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2323.820212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.820212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.820212 (E_RNA) where: Base-Base interactions energy: -1591.851 where: short stacking energy: -679.374 Base-Backbone interact. energy: 0.888 local terms energy: -732.856335 where: bonds (distance) C4'-P energy: -151.335 bonds (distance) P-C4' energy: -146.896 flat angles C4'-P-C4' energy: -164.759 flat angles P-C4'-P energy: -89.428 tors. eta vs tors. theta energy: -180.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2196.148833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.148833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.148833 (E_RNA) where: Base-Base interactions energy: -1483.095 where: short stacking energy: -657.069 Base-Backbone interact. energy: -1.444 local terms energy: -711.609704 where: bonds (distance) C4'-P energy: -133.951 bonds (distance) P-C4' energy: -148.063 flat angles C4'-P-C4' energy: -153.355 flat angles P-C4'-P energy: -103.324 tors. eta vs tors. theta energy: -172.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2145.335147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.335147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.335147 (E_RNA) where: Base-Base interactions energy: -1436.508 where: short stacking energy: -612.648 Base-Backbone interact. energy: 0.624 local terms energy: -709.451392 where: bonds (distance) C4'-P energy: -151.014 bonds (distance) P-C4' energy: -135.893 flat angles C4'-P-C4' energy: -152.005 flat angles P-C4'-P energy: -101.888 tors. eta vs tors. theta energy: -168.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1936.717799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.717799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.717799 (E_RNA) where: Base-Base interactions energy: -1273.373 where: short stacking energy: -549.188 Base-Backbone interact. energy: -0.730 local terms energy: -662.615052 where: bonds (distance) C4'-P energy: -136.906 bonds (distance) P-C4' energy: -144.482 flat angles C4'-P-C4' energy: -150.012 flat angles P-C4'-P energy: -88.513 tors. eta vs tors. theta energy: -142.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1856.088605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.088605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.088605 (E_RNA) where: Base-Base interactions energy: -1224.103 where: short stacking energy: -549.481 Base-Backbone interact. energy: 1.229 local terms energy: -633.214267 where: bonds (distance) C4'-P energy: -127.181 bonds (distance) P-C4' energy: -124.259 flat angles C4'-P-C4' energy: -145.825 flat angles P-C4'-P energy: -98.059 tors. eta vs tors. theta energy: -137.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1606.677554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.677554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.677554 (E_RNA) where: Base-Base interactions energy: -1015.949 where: short stacking energy: -485.367 Base-Backbone interact. energy: -2.132 local terms energy: -588.596484 where: bonds (distance) C4'-P energy: -108.063 bonds (distance) P-C4' energy: -147.133 flat angles C4'-P-C4' energy: -127.498 flat angles P-C4'-P energy: -90.102 tors. eta vs tors. theta energy: -115.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1294.182652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.182652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.182652 (E_RNA) where: Base-Base interactions energy: -762.571 where: short stacking energy: -360.307 Base-Backbone interact. energy: 4.693 local terms energy: -536.304406 where: bonds (distance) C4'-P energy: -135.279 bonds (distance) P-C4' energy: -129.605 flat angles C4'-P-C4' energy: -133.924 flat angles P-C4'-P energy: -84.701 tors. eta vs tors. theta energy: -52.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1129.976992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.976992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.976992 (E_RNA) where: Base-Base interactions energy: -679.334 where: short stacking energy: -329.602 Base-Backbone interact. energy: 1.900 local terms energy: -452.542563 where: bonds (distance) C4'-P energy: -111.358 bonds (distance) P-C4' energy: -122.238 flat angles C4'-P-C4' energy: -98.751 flat angles P-C4'-P energy: -76.008 tors. eta vs tors. theta energy: -44.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -808.945439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.945439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.945439 (E_RNA) where: Base-Base interactions energy: -408.768 where: short stacking energy: -217.819 Base-Backbone interact. energy: -0.548 local terms energy: -399.629513 where: bonds (distance) C4'-P energy: -112.320 bonds (distance) P-C4' energy: -108.956 flat angles C4'-P-C4' energy: -126.814 flat angles P-C4'-P energy: -56.856 tors. eta vs tors. theta energy: 5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -572.928811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.928811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.928811 (E_RNA) where: Base-Base interactions energy: -229.599 where: short stacking energy: -143.513 Base-Backbone interact. energy: 9.621 local terms energy: -352.951344 where: bonds (distance) C4'-P energy: -102.801 bonds (distance) P-C4' energy: -142.464 flat angles C4'-P-C4' energy: -103.260 flat angles P-C4'-P energy: -53.147 tors. eta vs tors. theta energy: 48.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2333.929207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.929207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.929207 (E_RNA) where: Base-Base interactions energy: -1591.441 where: short stacking energy: -662.437 Base-Backbone interact. energy: -5.405 local terms energy: -737.083766 where: bonds (distance) C4'-P energy: -126.369 bonds (distance) P-C4' energy: -146.283 flat angles C4'-P-C4' energy: -181.545 flat angles P-C4'-P energy: -100.156 tors. eta vs tors. theta energy: -182.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2256.441507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.441507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.441507 (E_RNA) where: Base-Base interactions energy: -1519.369 where: short stacking energy: -657.271 Base-Backbone interact. energy: -1.309 local terms energy: -735.763138 where: bonds (distance) C4'-P energy: -148.738 bonds (distance) P-C4' energy: -151.306 flat angles C4'-P-C4' energy: -161.781 flat angles P-C4'-P energy: -100.664 tors. eta vs tors. theta energy: -173.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2125.497472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.497472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.497472 (E_RNA) where: Base-Base interactions energy: -1433.241 where: short stacking energy: -631.826 Base-Backbone interact. energy: -5.513 local terms energy: -686.743785 where: bonds (distance) C4'-P energy: -129.372 bonds (distance) P-C4' energy: -150.617 flat angles C4'-P-C4' energy: -147.254 flat angles P-C4'-P energy: -81.113 tors. eta vs tors. theta energy: -178.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1987.680965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.680965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.680965 (E_RNA) where: Base-Base interactions energy: -1332.757 where: short stacking energy: -605.810 Base-Backbone interact. energy: 0.044 local terms energy: -654.967668 where: bonds (distance) C4'-P energy: -119.727 bonds (distance) P-C4' energy: -147.398 flat angles C4'-P-C4' energy: -142.148 flat angles P-C4'-P energy: -91.603 tors. eta vs tors. theta energy: -154.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1881.158980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.158980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.158980 (E_RNA) where: Base-Base interactions energy: -1256.180 where: short stacking energy: -546.291 Base-Backbone interact. energy: -0.682 local terms energy: -624.297360 where: bonds (distance) C4'-P energy: -130.809 bonds (distance) P-C4' energy: -123.487 flat angles C4'-P-C4' energy: -137.081 flat angles P-C4'-P energy: -90.098 tors. eta vs tors. theta energy: -142.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1609.706254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.706254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.706254 (E_RNA) where: Base-Base interactions energy: -1033.834 where: short stacking energy: -476.808 Base-Backbone interact. energy: -3.255 local terms energy: -572.616963 where: bonds (distance) C4'-P energy: -132.781 bonds (distance) P-C4' energy: -115.578 flat angles C4'-P-C4' energy: -129.739 flat angles P-C4'-P energy: -86.103 tors. eta vs tors. theta energy: -108.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1373.606159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.606159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.606159 (E_RNA) where: Base-Base interactions energy: -819.378 where: short stacking energy: -376.654 Base-Backbone interact. energy: 1.753 local terms energy: -555.981653 where: bonds (distance) C4'-P energy: -129.421 bonds (distance) P-C4' energy: -145.968 flat angles C4'-P-C4' energy: -128.847 flat angles P-C4'-P energy: -86.447 tors. eta vs tors. theta energy: -65.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1106.045463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.045463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.045463 (E_RNA) where: Base-Base interactions energy: -598.688 where: short stacking energy: -304.186 Base-Backbone interact. energy: -2.565 local terms energy: -504.792469 where: bonds (distance) C4'-P energy: -134.398 bonds (distance) P-C4' energy: -138.997 flat angles C4'-P-C4' energy: -124.466 flat angles P-C4'-P energy: -68.520 tors. eta vs tors. theta energy: -38.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -898.996388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.996388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.996388 (E_RNA) where: Base-Base interactions energy: -469.145 where: short stacking energy: -253.352 Base-Backbone interact. energy: 1.887 local terms energy: -431.738920 where: bonds (distance) C4'-P energy: -117.471 bonds (distance) P-C4' energy: -132.396 flat angles C4'-P-C4' energy: -95.580 flat angles P-C4'-P energy: -67.207 tors. eta vs tors. theta energy: -19.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -569.101646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.101646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.101646 (E_RNA) where: Base-Base interactions energy: -201.951 where: short stacking energy: -169.998 Base-Backbone interact. energy: 4.054 local terms energy: -371.205168 where: bonds (distance) C4'-P energy: -112.577 bonds (distance) P-C4' energy: -92.870 flat angles C4'-P-C4' energy: -109.677 flat angles P-C4'-P energy: -65.475 tors. eta vs tors. theta energy: 9.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2324.126140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.126140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.126140 (E_RNA) where: Base-Base interactions energy: -1569.203 where: short stacking energy: -661.215 Base-Backbone interact. energy: -2.011 local terms energy: -752.911952 where: bonds (distance) C4'-P energy: -149.392 bonds (distance) P-C4' energy: -155.074 flat angles C4'-P-C4' energy: -152.431 flat angles P-C4'-P energy: -113.822 tors. eta vs tors. theta energy: -182.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2243.720884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.720884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.720884 (E_RNA) where: Base-Base interactions energy: -1516.879 where: short stacking energy: -676.451 Base-Backbone interact. energy: -2.663 local terms energy: -724.179071 where: bonds (distance) C4'-P energy: -147.254 bonds (distance) P-C4' energy: -147.227 flat angles C4'-P-C4' energy: -149.207 flat angles P-C4'-P energy: -106.300 tors. eta vs tors. theta energy: -174.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2136.388351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.388351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.388351 (E_RNA) where: Base-Base interactions energy: -1423.344 where: short stacking energy: -632.918 Base-Backbone interact. energy: -2.990 local terms energy: -710.054355 where: bonds (distance) C4'-P energy: -131.155 bonds (distance) P-C4' energy: -143.874 flat angles C4'-P-C4' energy: -167.862 flat angles P-C4'-P energy: -98.137 tors. eta vs tors. theta energy: -169.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1944.710122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.710122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.710122 (E_RNA) where: Base-Base interactions energy: -1273.377 where: short stacking energy: -552.366 Base-Backbone interact. energy: -3.263 local terms energy: -668.069805 where: bonds (distance) C4'-P energy: -127.405 bonds (distance) P-C4' energy: -155.201 flat angles C4'-P-C4' energy: -150.387 flat angles P-C4'-P energy: -90.701 tors. eta vs tors. theta energy: -144.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1901.018062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.018062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.018062 (E_RNA) where: Base-Base interactions energy: -1244.582 where: short stacking energy: -535.538 Base-Backbone interact. energy: 1.749 local terms energy: -658.185288 where: bonds (distance) C4'-P energy: -129.792 bonds (distance) P-C4' energy: -145.836 flat angles C4'-P-C4' energy: -143.152 flat angles P-C4'-P energy: -94.581 tors. eta vs tors. theta energy: -144.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1601.532554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.532554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.532554 (E_RNA) where: Base-Base interactions energy: -1021.813 where: short stacking energy: -489.322 Base-Backbone interact. energy: 0.602 local terms energy: -580.322049 where: bonds (distance) C4'-P energy: -118.377 bonds (distance) P-C4' energy: -136.969 flat angles C4'-P-C4' energy: -126.448 flat angles P-C4'-P energy: -91.074 tors. eta vs tors. theta energy: -107.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1378.846558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.846558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.846558 (E_RNA) where: Base-Base interactions energy: -795.242 where: short stacking energy: -385.121 Base-Backbone interact. energy: -1.329 local terms energy: -582.276173 where: bonds (distance) C4'-P energy: -117.098 bonds (distance) P-C4' energy: -151.598 flat angles C4'-P-C4' energy: -133.509 flat angles P-C4'-P energy: -99.008 tors. eta vs tors. theta energy: -81.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1113.348484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.348484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.348484 (E_RNA) where: Base-Base interactions energy: -648.329 where: short stacking energy: -318.796 Base-Backbone interact. energy: -1.474 local terms energy: -463.545668 where: bonds (distance) C4'-P energy: -119.777 bonds (distance) P-C4' energy: -146.580 flat angles C4'-P-C4' energy: -95.061 flat angles P-C4'-P energy: -63.389 tors. eta vs tors. theta energy: -38.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -883.080449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.080449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.080449 (E_RNA) where: Base-Base interactions energy: -465.827 where: short stacking energy: -257.151 Base-Backbone interact. energy: 7.825 local terms energy: -425.078290 where: bonds (distance) C4'-P energy: -123.138 bonds (distance) P-C4' energy: -132.033 flat angles C4'-P-C4' energy: -104.314 flat angles P-C4'-P energy: -54.111 tors. eta vs tors. theta energy: -11.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -582.852233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.852233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.852233 (E_RNA) where: Base-Base interactions energy: -208.190 where: short stacking energy: -173.088 Base-Backbone interact. energy: -0.506 local terms energy: -374.156381 where: bonds (distance) C4'-P energy: -132.124 bonds (distance) P-C4' energy: -128.686 flat angles C4'-P-C4' energy: -96.453 flat angles P-C4'-P energy: -49.621 tors. eta vs tors. theta energy: 32.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2321.994815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.994815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.994815 (E_RNA) where: Base-Base interactions energy: -1566.382 where: short stacking energy: -695.760 Base-Backbone interact. energy: 3.573 local terms energy: -759.185564 where: bonds (distance) C4'-P energy: -145.699 bonds (distance) P-C4' energy: -166.445 flat angles C4'-P-C4' energy: -170.304 flat angles P-C4'-P energy: -106.197 tors. eta vs tors. theta energy: -170.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2230.304243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.304243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.304243 (E_RNA) where: Base-Base interactions energy: -1513.857 where: short stacking energy: -660.927 Base-Backbone interact. energy: 3.887 local terms energy: -720.334377 where: bonds (distance) C4'-P energy: -156.049 bonds (distance) P-C4' energy: -128.370 flat angles C4'-P-C4' energy: -160.449 flat angles P-C4'-P energy: -94.427 tors. eta vs tors. theta energy: -181.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2105.683289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.683289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.683289 (E_RNA) where: Base-Base interactions energy: -1413.080 where: short stacking energy: -641.159 Base-Backbone interact. energy: -0.766 local terms energy: -691.837536 where: bonds (distance) C4'-P energy: -121.773 bonds (distance) P-C4' energy: -153.571 flat angles C4'-P-C4' energy: -135.980 flat angles P-C4'-P energy: -101.155 tors. eta vs tors. theta energy: -179.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1954.814371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.814371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.814371 (E_RNA) where: Base-Base interactions energy: -1259.380 where: short stacking energy: -571.737 Base-Backbone interact. energy: -1.181 local terms energy: -694.253382 where: bonds (distance) C4'-P energy: -146.639 bonds (distance) P-C4' energy: -136.926 flat angles C4'-P-C4' energy: -153.042 flat angles P-C4'-P energy: -92.439 tors. eta vs tors. theta energy: -165.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1879.876253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.876253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.876253 (E_RNA) where: Base-Base interactions energy: -1226.675 where: short stacking energy: -571.891 Base-Backbone interact. energy: -0.817 local terms energy: -652.384085 where: bonds (distance) C4'-P energy: -126.846 bonds (distance) P-C4' energy: -133.529 flat angles C4'-P-C4' energy: -143.207 flat angles P-C4'-P energy: -93.794 tors. eta vs tors. theta energy: -155.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1623.815143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.815143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.815143 (E_RNA) where: Base-Base interactions energy: -1055.964 where: short stacking energy: -480.750 Base-Backbone interact. energy: 0.531 local terms energy: -568.381730 where: bonds (distance) C4'-P energy: -129.434 bonds (distance) P-C4' energy: -127.051 flat angles C4'-P-C4' energy: -138.304 flat angles P-C4'-P energy: -75.429 tors. eta vs tors. theta energy: -98.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1343.837367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.837367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.837367 (E_RNA) where: Base-Base interactions energy: -804.383 where: short stacking energy: -365.301 Base-Backbone interact. energy: -4.579 local terms energy: -534.875751 where: bonds (distance) C4'-P energy: -124.265 bonds (distance) P-C4' energy: -117.188 flat angles C4'-P-C4' energy: -135.998 flat angles P-C4'-P energy: -85.492 tors. eta vs tors. theta energy: -71.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1046.309277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.309277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.309277 (E_RNA) where: Base-Base interactions energy: -543.438 where: short stacking energy: -295.747 Base-Backbone interact. energy: -1.952 local terms energy: -500.919286 where: bonds (distance) C4'-P energy: -120.489 bonds (distance) P-C4' energy: -141.282 flat angles C4'-P-C4' energy: -138.267 flat angles P-C4'-P energy: -65.748 tors. eta vs tors. theta energy: -35.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -894.021279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.021279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.021279 (E_RNA) where: Base-Base interactions energy: -454.143 where: short stacking energy: -280.775 Base-Backbone interact. energy: 0.424 local terms energy: -440.302165 where: bonds (distance) C4'-P energy: -119.109 bonds (distance) P-C4' energy: -128.059 flat angles C4'-P-C4' energy: -119.572 flat angles P-C4'-P energy: -65.734 tors. eta vs tors. theta energy: -7.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -629.594655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.594655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.594655 (E_RNA) where: Base-Base interactions energy: -283.808 where: short stacking energy: -199.300 Base-Backbone interact. energy: 9.922 local terms energy: -355.708316 where: bonds (distance) C4'-P energy: -91.038 bonds (distance) P-C4' energy: -129.612 flat angles C4'-P-C4' energy: -102.526 flat angles P-C4'-P energy: -63.803 tors. eta vs tors. theta energy: 31.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2341.268990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.268990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.268990 (E_RNA) where: Base-Base interactions energy: -1596.374 where: short stacking energy: -685.773 Base-Backbone interact. energy: 4.977 local terms energy: -749.871795 where: bonds (distance) C4'-P energy: -151.049 bonds (distance) P-C4' energy: -150.769 flat angles C4'-P-C4' energy: -154.866 flat angles P-C4'-P energy: -114.890 tors. eta vs tors. theta energy: -178.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2223.649994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.649994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.649994 (E_RNA) where: Base-Base interactions energy: -1482.794 where: short stacking energy: -624.195 Base-Backbone interact. energy: 6.073 local terms energy: -746.928117 where: bonds (distance) C4'-P energy: -149.588 bonds (distance) P-C4' energy: -138.471 flat angles C4'-P-C4' energy: -165.031 flat angles P-C4'-P energy: -116.596 tors. eta vs tors. theta energy: -177.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2125.523505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.523505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.523505 (E_RNA) where: Base-Base interactions energy: -1417.823 where: short stacking energy: -616.416 Base-Backbone interact. energy: -2.997 local terms energy: -704.702793 where: bonds (distance) C4'-P energy: -143.224 bonds (distance) P-C4' energy: -144.953 flat angles C4'-P-C4' energy: -150.379 flat angles P-C4'-P energy: -92.335 tors. eta vs tors. theta energy: -173.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1860.841722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.841722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.841722 (E_RNA) where: Base-Base interactions energy: -1206.070 where: short stacking energy: -526.472 Base-Backbone interact. energy: -3.850 local terms energy: -650.921417 where: bonds (distance) C4'-P energy: -142.686 bonds (distance) P-C4' energy: -130.909 flat angles C4'-P-C4' energy: -146.186 flat angles P-C4'-P energy: -104.018 tors. eta vs tors. theta energy: -127.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1925.195757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.195757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.195757 (E_RNA) where: Base-Base interactions energy: -1282.231 where: short stacking energy: -569.881 Base-Backbone interact. energy: 4.937 local terms energy: -647.901300 where: bonds (distance) C4'-P energy: -139.244 bonds (distance) P-C4' energy: -126.722 flat angles C4'-P-C4' energy: -148.385 flat angles P-C4'-P energy: -91.019 tors. eta vs tors. theta energy: -142.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1671.887295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.887295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.887295 (E_RNA) where: Base-Base interactions energy: -1115.200 where: short stacking energy: -475.469 Base-Backbone interact. energy: 2.477 local terms energy: -559.164196 where: bonds (distance) C4'-P energy: -128.883 bonds (distance) P-C4' energy: -140.494 flat angles C4'-P-C4' energy: -134.006 flat angles P-C4'-P energy: -55.825 tors. eta vs tors. theta energy: -99.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1396.234412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.234412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.234412 (E_RNA) where: Base-Base interactions energy: -873.295 where: short stacking energy: -393.147 Base-Backbone interact. energy: 1.360 local terms energy: -524.299899 where: bonds (distance) C4'-P energy: -116.977 bonds (distance) P-C4' energy: -133.836 flat angles C4'-P-C4' energy: -120.435 flat angles P-C4'-P energy: -78.776 tors. eta vs tors. theta energy: -74.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1104.144208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.144208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.144208 (E_RNA) where: Base-Base interactions energy: -610.631 where: short stacking energy: -318.392 Base-Backbone interact. energy: 0.143 local terms energy: -493.655603 where: bonds (distance) C4'-P energy: -130.338 bonds (distance) P-C4' energy: -139.756 flat angles C4'-P-C4' energy: -117.502 flat angles P-C4'-P energy: -75.257 tors. eta vs tors. theta energy: -30.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -935.016911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.016911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.016911 (E_RNA) where: Base-Base interactions energy: -480.776 where: short stacking energy: -267.322 Base-Backbone interact. energy: 10.108 local terms energy: -464.349453 where: bonds (distance) C4'-P energy: -130.526 bonds (distance) P-C4' energy: -135.000 flat angles C4'-P-C4' energy: -120.411 flat angles P-C4'-P energy: -67.964 tors. eta vs tors. theta energy: -10.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -604.693995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.693995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.693995 (E_RNA) where: Base-Base interactions energy: -239.016 where: short stacking energy: -172.721 Base-Backbone interact. energy: -2.912 local terms energy: -362.765488 where: bonds (distance) C4'-P energy: -106.470 bonds (distance) P-C4' energy: -121.516 flat angles C4'-P-C4' energy: -100.462 flat angles P-C4'-P energy: -70.727 tors. eta vs tors. theta energy: 36.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2335.681893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.681893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.681893 (E_RNA) where: Base-Base interactions energy: -1592.661 where: short stacking energy: -717.436 Base-Backbone interact. energy: -2.066 local terms energy: -740.955355 where: bonds (distance) C4'-P energy: -150.818 bonds (distance) P-C4' energy: -155.234 flat angles C4'-P-C4' energy: -154.202 flat angles P-C4'-P energy: -102.374 tors. eta vs tors. theta energy: -178.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2251.423516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.423516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.423516 (E_RNA) where: Base-Base interactions energy: -1536.230 where: short stacking energy: -645.025 Base-Backbone interact. energy: 0.910 local terms energy: -716.104078 where: bonds (distance) C4'-P energy: -145.872 bonds (distance) P-C4' energy: -149.041 flat angles C4'-P-C4' energy: -160.234 flat angles P-C4'-P energy: -84.034 tors. eta vs tors. theta energy: -176.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2108.460904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.460904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.460904 (E_RNA) where: Base-Base interactions energy: -1418.302 where: short stacking energy: -621.303 Base-Backbone interact. energy: 1.371 local terms energy: -691.530324 where: bonds (distance) C4'-P energy: -129.195 bonds (distance) P-C4' energy: -141.571 flat angles C4'-P-C4' energy: -149.058 flat angles P-C4'-P energy: -98.100 tors. eta vs tors. theta energy: -173.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1997.833272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.833272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.833272 (E_RNA) where: Base-Base interactions energy: -1310.184 where: short stacking energy: -597.336 Base-Backbone interact. energy: 0.949 local terms energy: -688.598484 where: bonds (distance) C4'-P energy: -129.559 bonds (distance) P-C4' energy: -133.912 flat angles C4'-P-C4' energy: -160.237 flat angles P-C4'-P energy: -106.123 tors. eta vs tors. theta energy: -158.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1769.437550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.437550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.437550 (E_RNA) where: Base-Base interactions energy: -1146.200 where: short stacking energy: -512.061 Base-Backbone interact. energy: -6.044 local terms energy: -617.193194 where: bonds (distance) C4'-P energy: -133.733 bonds (distance) P-C4' energy: -136.010 flat angles C4'-P-C4' energy: -142.627 flat angles P-C4'-P energy: -83.642 tors. eta vs tors. theta energy: -121.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1750.684101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.684101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.684101 (E_RNA) where: Base-Base interactions energy: -1150.241 where: short stacking energy: -484.047 Base-Backbone interact. energy: 0.425 local terms energy: -600.868307 where: bonds (distance) C4'-P energy: -123.395 bonds (distance) P-C4' energy: -129.553 flat angles C4'-P-C4' energy: -142.066 flat angles P-C4'-P energy: -95.398 tors. eta vs tors. theta energy: -110.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1508.056030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.056030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.056030 (E_RNA) where: Base-Base interactions energy: -960.674 where: short stacking energy: -442.699 Base-Backbone interact. energy: -1.061 local terms energy: -546.321306 where: bonds (distance) C4'-P energy: -125.516 bonds (distance) P-C4' energy: -132.132 flat angles C4'-P-C4' energy: -134.349 flat angles P-C4'-P energy: -74.729 tors. eta vs tors. theta energy: -79.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1129.312620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.312620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.312620 (E_RNA) where: Base-Base interactions energy: -671.724 where: short stacking energy: -338.573 Base-Backbone interact. energy: -0.990 local terms energy: -456.598644 where: bonds (distance) C4'-P energy: -122.380 bonds (distance) P-C4' energy: -103.169 flat angles C4'-P-C4' energy: -128.518 flat angles P-C4'-P energy: -73.177 tors. eta vs tors. theta energy: -29.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -842.259875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.259875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.259875 (E_RNA) where: Base-Base interactions energy: -447.034 where: short stacking energy: -256.799 Base-Backbone interact. energy: 1.332 local terms energy: -396.557127 where: bonds (distance) C4'-P energy: -115.271 bonds (distance) P-C4' energy: -100.655 flat angles C4'-P-C4' energy: -96.798 flat angles P-C4'-P energy: -66.765 tors. eta vs tors. theta energy: -17.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -605.480084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.480084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.480084 (E_RNA) where: Base-Base interactions energy: -231.967 where: short stacking energy: -167.244 Base-Backbone interact. energy: 1.043 local terms energy: -374.556090 where: bonds (distance) C4'-P energy: -126.104 bonds (distance) P-C4' energy: -144.165 flat angles C4'-P-C4' energy: -86.843 flat angles P-C4'-P energy: -42.851 tors. eta vs tors. theta energy: 25.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2311.860092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.860092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.860092 (E_RNA) where: Base-Base interactions energy: -1578.849 where: short stacking energy: -698.949 Base-Backbone interact. energy: -2.454 local terms energy: -730.556742 where: bonds (distance) C4'-P energy: -151.813 bonds (distance) P-C4' energy: -147.227 flat angles C4'-P-C4' energy: -167.892 flat angles P-C4'-P energy: -92.826 tors. eta vs tors. theta energy: -170.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2247.079410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.079410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.079410 (E_RNA) where: Base-Base interactions energy: -1496.043 where: short stacking energy: -659.388 Base-Backbone interact. energy: 1.606 local terms energy: -752.642266 where: bonds (distance) C4'-P energy: -152.790 bonds (distance) P-C4' energy: -139.991 flat angles C4'-P-C4' energy: -169.521 flat angles P-C4'-P energy: -108.011 tors. eta vs tors. theta energy: -182.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2150.066920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.066920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.066920 (E_RNA) where: Base-Base interactions energy: -1433.653 where: short stacking energy: -645.357 Base-Backbone interact. energy: -2.566 local terms energy: -713.847066 where: bonds (distance) C4'-P energy: -142.005 bonds (distance) P-C4' energy: -141.474 flat angles C4'-P-C4' energy: -158.591 flat angles P-C4'-P energy: -99.631 tors. eta vs tors. theta energy: -172.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1993.987881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.987881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.987881 (E_RNA) where: Base-Base interactions energy: -1304.831 where: short stacking energy: -577.402 Base-Backbone interact. energy: -2.519 local terms energy: -686.637746 where: bonds (distance) C4'-P energy: -135.694 bonds (distance) P-C4' energy: -157.504 flat angles C4'-P-C4' energy: -149.618 flat angles P-C4'-P energy: -88.491 tors. eta vs tors. theta energy: -155.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1784.156992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.156992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.156992 (E_RNA) where: Base-Base interactions energy: -1147.100 where: short stacking energy: -539.777 Base-Backbone interact. energy: 0.485 local terms energy: -637.542195 where: bonds (distance) C4'-P energy: -130.060 bonds (distance) P-C4' energy: -130.017 flat angles C4'-P-C4' energy: -156.171 flat angles P-C4'-P energy: -88.235 tors. eta vs tors. theta energy: -133.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1725.592225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.592225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.592225 (E_RNA) where: Base-Base interactions energy: -1112.948 where: short stacking energy: -478.770 Base-Backbone interact. energy: 1.653 local terms energy: -614.297215 where: bonds (distance) C4'-P energy: -130.911 bonds (distance) P-C4' energy: -135.132 flat angles C4'-P-C4' energy: -139.214 flat angles P-C4'-P energy: -93.868 tors. eta vs tors. theta energy: -115.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1469.691244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.691244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.691244 (E_RNA) where: Base-Base interactions energy: -900.498 where: short stacking energy: -439.985 Base-Backbone interact. energy: -2.248 local terms energy: -566.945071 where: bonds (distance) C4'-P energy: -140.074 bonds (distance) P-C4' energy: -146.112 flat angles C4'-P-C4' energy: -123.916 flat angles P-C4'-P energy: -69.587 tors. eta vs tors. theta energy: -87.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1107.344585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.344585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.344585 (E_RNA) where: Base-Base interactions energy: -660.788 where: short stacking energy: -313.982 Base-Backbone interact. energy: 9.581 local terms energy: -456.138058 where: bonds (distance) C4'-P energy: -124.162 bonds (distance) P-C4' energy: -117.447 flat angles C4'-P-C4' energy: -123.366 flat angles P-C4'-P energy: -63.512 tors. eta vs tors. theta energy: -27.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -892.076474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.076474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.076474 (E_RNA) where: Base-Base interactions energy: -457.271 where: short stacking energy: -265.373 Base-Backbone interact. energy: -1.675 local terms energy: -433.131282 where: bonds (distance) C4'-P energy: -108.505 bonds (distance) P-C4' energy: -123.962 flat angles C4'-P-C4' energy: -113.564 flat angles P-C4'-P energy: -74.449 tors. eta vs tors. theta energy: -12.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -581.589892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.589892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.589892 (E_RNA) where: Base-Base interactions energy: -199.751 where: short stacking energy: -167.672 Base-Backbone interact. energy: -1.685 local terms energy: -380.153618 where: bonds (distance) C4'-P energy: -100.457 bonds (distance) P-C4' energy: -120.802 flat angles C4'-P-C4' energy: -95.519 flat angles P-C4'-P energy: -70.491 tors. eta vs tors. theta energy: 7.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2350.083092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.083092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.083092 (E_RNA) where: Base-Base interactions energy: -1566.160 where: short stacking energy: -690.048 Base-Backbone interact. energy: 1.691 local terms energy: -785.614163 where: bonds (distance) C4'-P energy: -147.205 bonds (distance) P-C4' energy: -161.537 flat angles C4'-P-C4' energy: -175.188 flat angles P-C4'-P energy: -113.402 tors. eta vs tors. theta energy: -188.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2264.888363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.888363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.888363 (E_RNA) where: Base-Base interactions energy: -1521.461 where: short stacking energy: -658.433 Base-Backbone interact. energy: -2.244 local terms energy: -741.183845 where: bonds (distance) C4'-P energy: -147.607 bonds (distance) P-C4' energy: -140.468 flat angles C4'-P-C4' energy: -163.014 flat angles P-C4'-P energy: -101.273 tors. eta vs tors. theta energy: -188.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2120.458391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.458391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.458391 (E_RNA) where: Base-Base interactions energy: -1407.982 where: short stacking energy: -608.417 Base-Backbone interact. energy: -1.400 local terms energy: -711.076586 where: bonds (distance) C4'-P energy: -152.920 bonds (distance) P-C4' energy: -139.329 flat angles C4'-P-C4' energy: -156.711 flat angles P-C4'-P energy: -104.468 tors. eta vs tors. theta energy: -157.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2040.192616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.192616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.192616 (E_RNA) where: Base-Base interactions energy: -1357.444 where: short stacking energy: -595.237 Base-Backbone interact. energy: -2.665 local terms energy: -680.083853 where: bonds (distance) C4'-P energy: -149.343 bonds (distance) P-C4' energy: -127.831 flat angles C4'-P-C4' energy: -146.041 flat angles P-C4'-P energy: -92.116 tors. eta vs tors. theta energy: -164.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1762.590042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.590042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.590042 (E_RNA) where: Base-Base interactions energy: -1116.427 where: short stacking energy: -503.710 Base-Backbone interact. energy: -1.749 local terms energy: -644.413612 where: bonds (distance) C4'-P energy: -149.532 bonds (distance) P-C4' energy: -144.454 flat angles C4'-P-C4' energy: -147.172 flat angles P-C4'-P energy: -90.404 tors. eta vs tors. theta energy: -112.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1705.800069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.800069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.800069 (E_RNA) where: Base-Base interactions energy: -1117.347 where: short stacking energy: -483.042 Base-Backbone interact. energy: 6.899 local terms energy: -595.352068 where: bonds (distance) C4'-P energy: -122.381 bonds (distance) P-C4' energy: -123.023 flat angles C4'-P-C4' energy: -146.930 flat angles P-C4'-P energy: -91.587 tors. eta vs tors. theta energy: -111.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1437.250334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.250334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.250334 (E_RNA) where: Base-Base interactions energy: -893.430 where: short stacking energy: -422.561 Base-Backbone interact. energy: -0.262 local terms energy: -543.558483 where: bonds (distance) C4'-P energy: -114.439 bonds (distance) P-C4' energy: -140.459 flat angles C4'-P-C4' energy: -131.399 flat angles P-C4'-P energy: -77.077 tors. eta vs tors. theta energy: -80.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1107.673102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.673102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.673102 (E_RNA) where: Base-Base interactions energy: -618.145 where: short stacking energy: -331.406 Base-Backbone interact. energy: -1.194 local terms energy: -488.333395 where: bonds (distance) C4'-P energy: -119.831 bonds (distance) P-C4' energy: -130.031 flat angles C4'-P-C4' energy: -126.562 flat angles P-C4'-P energy: -69.647 tors. eta vs tors. theta energy: -42.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -861.375029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.375029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.375029 (E_RNA) where: Base-Base interactions energy: -421.715 where: short stacking energy: -249.211 Base-Backbone interact. energy: -0.991 local terms energy: -438.668726 where: bonds (distance) C4'-P energy: -124.927 bonds (distance) P-C4' energy: -117.275 flat angles C4'-P-C4' energy: -119.734 flat angles P-C4'-P energy: -61.741 tors. eta vs tors. theta energy: -14.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -624.611552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.611552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.611552 (E_RNA) where: Base-Base interactions energy: -248.716 where: short stacking energy: -176.972 Base-Backbone interact. energy: -3.045 local terms energy: -374.020790 where: bonds (distance) C4'-P energy: -97.166 bonds (distance) P-C4' energy: -127.797 flat angles C4'-P-C4' energy: -102.228 flat angles P-C4'-P energy: -65.835 tors. eta vs tors. theta energy: 19.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.171 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2345.784413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.784413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.784413 (E_RNA) where: Base-Base interactions energy: -1586.418 where: short stacking energy: -687.683 Base-Backbone interact. energy: -1.389 local terms energy: -757.977457 where: bonds (distance) C4'-P energy: -140.263 bonds (distance) P-C4' energy: -159.700 flat angles C4'-P-C4' energy: -152.448 flat angles P-C4'-P energy: -112.554 tors. eta vs tors. theta energy: -193.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2263.293528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.293528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.293528 (E_RNA) where: Base-Base interactions energy: -1495.377 where: short stacking energy: -657.106 Base-Backbone interact. energy: -2.288 local terms energy: -765.628290 where: bonds (distance) C4'-P energy: -148.258 bonds (distance) P-C4' energy: -169.274 flat angles C4'-P-C4' energy: -156.029 flat angles P-C4'-P energy: -111.687 tors. eta vs tors. theta energy: -180.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2136.651753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.651753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.651753 (E_RNA) where: Base-Base interactions energy: -1426.633 where: short stacking energy: -618.540 Base-Backbone interact. energy: -3.393 local terms energy: -706.625424 where: bonds (distance) C4'-P energy: -129.063 bonds (distance) P-C4' energy: -159.299 flat angles C4'-P-C4' energy: -149.129 flat angles P-C4'-P energy: -98.012 tors. eta vs tors. theta energy: -171.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2041.432208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.432208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.432208 (E_RNA) where: Base-Base interactions energy: -1357.008 where: short stacking energy: -578.492 Base-Backbone interact. energy: 1.231 local terms energy: -685.654453 where: bonds (distance) C4'-P energy: -146.107 bonds (distance) P-C4' energy: -133.052 flat angles C4'-P-C4' energy: -153.155 flat angles P-C4'-P energy: -105.628 tors. eta vs tors. theta energy: -147.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1807.907927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.907927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.907927 (E_RNA) where: Base-Base interactions energy: -1153.482 where: short stacking energy: -528.027 Base-Backbone interact. energy: -0.780 local terms energy: -653.646008 where: bonds (distance) C4'-P energy: -141.932 bonds (distance) P-C4' energy: -123.260 flat angles C4'-P-C4' energy: -152.811 flat angles P-C4'-P energy: -95.875 tors. eta vs tors. theta energy: -139.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1655.596605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.596605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.596605 (E_RNA) where: Base-Base interactions energy: -1060.244 where: short stacking energy: -468.510 Base-Backbone interact. energy: -2.626 local terms energy: -592.726942 where: bonds (distance) C4'-P energy: -113.677 bonds (distance) P-C4' energy: -137.615 flat angles C4'-P-C4' energy: -149.648 flat angles P-C4'-P energy: -91.344 tors. eta vs tors. theta energy: -100.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1422.826195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.826195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.826195 (E_RNA) where: Base-Base interactions energy: -906.060 where: short stacking energy: -447.727 Base-Backbone interact. energy: -0.303 local terms energy: -516.463148 where: bonds (distance) C4'-P energy: -105.707 bonds (distance) P-C4' energy: -126.430 flat angles C4'-P-C4' energy: -128.000 flat angles P-C4'-P energy: -70.194 tors. eta vs tors. theta energy: -86.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1064.318732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.318732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.318732 (E_RNA) where: Base-Base interactions energy: -605.885 where: short stacking energy: -334.077 Base-Backbone interact. energy: 2.615 local terms energy: -461.048512 where: bonds (distance) C4'-P energy: -113.690 bonds (distance) P-C4' energy: -128.483 flat angles C4'-P-C4' energy: -105.026 flat angles P-C4'-P energy: -73.536 tors. eta vs tors. theta energy: -40.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -885.429499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.429499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.429499 (E_RNA) where: Base-Base interactions energy: -444.946 where: short stacking energy: -210.593 Base-Backbone interact. energy: 2.900 local terms energy: -443.383446 where: bonds (distance) C4'-P energy: -112.289 bonds (distance) P-C4' energy: -148.105 flat angles C4'-P-C4' energy: -111.785 flat angles P-C4'-P energy: -58.987 tors. eta vs tors. theta energy: -12.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -596.318754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.318754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.318754 (E_RNA) where: Base-Base interactions energy: -238.425 where: short stacking energy: -164.035 Base-Backbone interact. energy: 8.691 local terms energy: -366.585662 where: bonds (distance) C4'-P energy: -114.586 bonds (distance) P-C4' energy: -128.637 flat angles C4'-P-C4' energy: -107.539 flat angles P-C4'-P energy: -44.779 tors. eta vs tors. theta energy: 28.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2371.866007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.866007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.866007 (E_RNA) where: Base-Base interactions energy: -1623.516 where: short stacking energy: -713.379 Base-Backbone interact. energy: -1.392 local terms energy: -746.957700 where: bonds (distance) C4'-P energy: -147.508 bonds (distance) P-C4' energy: -148.434 flat angles C4'-P-C4' energy: -155.625 flat angles P-C4'-P energy: -109.539 tors. eta vs tors. theta energy: -185.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2271.915446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.915446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.915446 (E_RNA) where: Base-Base interactions energy: -1526.681 where: short stacking energy: -645.194 Base-Backbone interact. energy: 1.019 local terms energy: -746.253521 where: bonds (distance) C4'-P energy: -147.563 bonds (distance) P-C4' energy: -154.449 flat angles C4'-P-C4' energy: -152.157 flat angles P-C4'-P energy: -109.189 tors. eta vs tors. theta energy: -182.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2159.141516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.141516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.141516 (E_RNA) where: Base-Base interactions energy: -1452.022 where: short stacking energy: -615.930 Base-Backbone interact. energy: -2.458 local terms energy: -704.660880 where: bonds (distance) C4'-P energy: -136.266 bonds (distance) P-C4' energy: -153.325 flat angles C4'-P-C4' energy: -154.306 flat angles P-C4'-P energy: -104.042 tors. eta vs tors. theta energy: -156.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2023.377996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.377996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.377996 (E_RNA) where: Base-Base interactions energy: -1332.955 where: short stacking energy: -608.258 Base-Backbone interact. energy: -1.878 local terms energy: -688.545824 where: bonds (distance) C4'-P energy: -143.499 bonds (distance) P-C4' energy: -132.561 flat angles C4'-P-C4' energy: -148.191 flat angles P-C4'-P energy: -94.114 tors. eta vs tors. theta energy: -170.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1770.994325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.994325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.994325 (E_RNA) where: Base-Base interactions energy: -1147.765 where: short stacking energy: -528.429 Base-Backbone interact. energy: 4.606 local terms energy: -627.835688 where: bonds (distance) C4'-P energy: -117.946 bonds (distance) P-C4' energy: -147.646 flat angles C4'-P-C4' energy: -144.388 flat angles P-C4'-P energy: -95.629 tors. eta vs tors. theta energy: -122.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1722.237576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.237576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.237576 (E_RNA) where: Base-Base interactions energy: -1126.357 where: short stacking energy: -506.565 Base-Backbone interact. energy: 0.869 local terms energy: -596.749882 where: bonds (distance) C4'-P energy: -125.612 bonds (distance) P-C4' energy: -129.936 flat angles C4'-P-C4' energy: -143.786 flat angles P-C4'-P energy: -79.519 tors. eta vs tors. theta energy: -117.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1438.231970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.231970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.231970 (E_RNA) where: Base-Base interactions energy: -882.651 where: short stacking energy: -403.249 Base-Backbone interact. energy: -0.470 local terms energy: -555.110727 where: bonds (distance) C4'-P energy: -118.790 bonds (distance) P-C4' energy: -146.248 flat angles C4'-P-C4' energy: -125.679 flat angles P-C4'-P energy: -81.670 tors. eta vs tors. theta energy: -82.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1090.171128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.171128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.171128 (E_RNA) where: Base-Base interactions energy: -623.609 where: short stacking energy: -315.327 Base-Backbone interact. energy: 2.965 local terms energy: -469.526442 where: bonds (distance) C4'-P energy: -124.605 bonds (distance) P-C4' energy: -107.394 flat angles C4'-P-C4' energy: -121.027 flat angles P-C4'-P energy: -84.192 tors. eta vs tors. theta energy: -32.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -916.961331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.961331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.961331 (E_RNA) where: Base-Base interactions energy: -486.535 where: short stacking energy: -247.679 Base-Backbone interact. energy: 1.056 local terms energy: -431.482482 where: bonds (distance) C4'-P energy: -106.022 bonds (distance) P-C4' energy: -146.244 flat angles C4'-P-C4' energy: -114.547 flat angles P-C4'-P energy: -53.586 tors. eta vs tors. theta energy: -11.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -616.568573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.568573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.568573 (E_RNA) where: Base-Base interactions energy: -226.361 where: short stacking energy: -167.833 Base-Backbone interact. energy: 5.491 local terms energy: -395.698520 where: bonds (distance) C4'-P energy: -129.036 bonds (distance) P-C4' energy: -122.756 flat angles C4'-P-C4' energy: -104.177 flat angles P-C4'-P energy: -64.596 tors. eta vs tors. theta energy: 24.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2390.581495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.581495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.581495 (E_RNA) where: Base-Base interactions energy: -1614.539 where: short stacking energy: -695.555 Base-Backbone interact. energy: -1.118 local terms energy: -774.925257 where: bonds (distance) C4'-P energy: -144.383 bonds (distance) P-C4' energy: -156.956 flat angles C4'-P-C4' energy: -157.404 flat angles P-C4'-P energy: -115.211 tors. eta vs tors. theta energy: -200.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2274.260977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.260977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.260977 (E_RNA) where: Base-Base interactions energy: -1549.941 where: short stacking energy: -643.652 Base-Backbone interact. energy: -0.648 local terms energy: -723.672348 where: bonds (distance) C4'-P energy: -148.875 bonds (distance) P-C4' energy: -147.309 flat angles C4'-P-C4' energy: -146.527 flat angles P-C4'-P energy: -109.191 tors. eta vs tors. theta energy: -171.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2173.841479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.841479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.841479 (E_RNA) where: Base-Base interactions energy: -1459.155 where: short stacking energy: -645.070 Base-Backbone interact. energy: -4.159 local terms energy: -710.528214 where: bonds (distance) C4'-P energy: -133.218 bonds (distance) P-C4' energy: -148.399 flat angles C4'-P-C4' energy: -166.396 flat angles P-C4'-P energy: -112.688 tors. eta vs tors. theta energy: -149.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2031.919800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.919800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.919800 (E_RNA) where: Base-Base interactions energy: -1334.257 where: short stacking energy: -615.440 Base-Backbone interact. energy: -0.212 local terms energy: -697.450841 where: bonds (distance) C4'-P energy: -131.742 bonds (distance) P-C4' energy: -134.662 flat angles C4'-P-C4' energy: -149.378 flat angles P-C4'-P energy: -106.875 tors. eta vs tors. theta energy: -174.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1762.536215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.536215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.536215 (E_RNA) where: Base-Base interactions energy: -1143.481 where: short stacking energy: -519.633 Base-Backbone interact. energy: -2.155 local terms energy: -616.899508 where: bonds (distance) C4'-P energy: -119.419 bonds (distance) P-C4' energy: -145.214 flat angles C4'-P-C4' energy: -148.310 flat angles P-C4'-P energy: -86.496 tors. eta vs tors. theta energy: -117.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1647.146430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.146430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.146430 (E_RNA) where: Base-Base interactions energy: -1053.100 where: short stacking energy: -469.356 Base-Backbone interact. energy: -1.346 local terms energy: -592.700765 where: bonds (distance) C4'-P energy: -135.005 bonds (distance) P-C4' energy: -131.300 flat angles C4'-P-C4' energy: -131.816 flat angles P-C4'-P energy: -78.212 tors. eta vs tors. theta energy: -116.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1364.137448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.137448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.137448 (E_RNA) where: Base-Base interactions energy: -844.470 where: short stacking energy: -386.207 Base-Backbone interact. energy: -2.818 local terms energy: -516.849304 where: bonds (distance) C4'-P energy: -119.489 bonds (distance) P-C4' energy: -132.016 flat angles C4'-P-C4' energy: -117.676 flat angles P-C4'-P energy: -80.219 tors. eta vs tors. theta energy: -67.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1090.767261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.767261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.767261 (E_RNA) where: Base-Base interactions energy: -610.995 where: short stacking energy: -309.929 Base-Backbone interact. energy: -0.356 local terms energy: -479.416466 where: bonds (distance) C4'-P energy: -102.910 bonds (distance) P-C4' energy: -138.584 flat angles C4'-P-C4' energy: -146.893 flat angles P-C4'-P energy: -69.132 tors. eta vs tors. theta energy: -21.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -787.520081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.520081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.520081 (E_RNA) where: Base-Base interactions energy: -347.152 where: short stacking energy: -208.604 Base-Backbone interact. energy: -2.313 local terms energy: -438.055591 where: bonds (distance) C4'-P energy: -138.707 bonds (distance) P-C4' energy: -112.943 flat angles C4'-P-C4' energy: -120.543 flat angles P-C4'-P energy: -62.211 tors. eta vs tors. theta energy: -3.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -559.938094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.938094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.938094 (E_RNA) where: Base-Base interactions energy: -200.604 where: short stacking energy: -160.717 Base-Backbone interact. energy: -0.966 local terms energy: -358.367945 where: bonds (distance) C4'-P energy: -122.944 bonds (distance) P-C4' energy: -123.916 flat angles C4'-P-C4' energy: -115.942 flat angles P-C4'-P energy: -45.019 tors. eta vs tors. theta energy: 49.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2413.684607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.684607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.684607 (E_RNA) where: Base-Base interactions energy: -1641.609 where: short stacking energy: -699.065 Base-Backbone interact. energy: -0.153 local terms energy: -771.922902 where: bonds (distance) C4'-P energy: -138.695 bonds (distance) P-C4' energy: -156.732 flat angles C4'-P-C4' energy: -171.394 flat angles P-C4'-P energy: -115.284 tors. eta vs tors. theta energy: -189.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2233.166155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.166155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.166155 (E_RNA) where: Base-Base interactions energy: -1525.951 where: short stacking energy: -673.001 Base-Backbone interact. energy: 1.512 local terms energy: -708.727341 where: bonds (distance) C4'-P energy: -129.511 bonds (distance) P-C4' energy: -142.206 flat angles C4'-P-C4' energy: -153.816 flat angles P-C4'-P energy: -99.694 tors. eta vs tors. theta energy: -183.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2190.848819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.848819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.848819 (E_RNA) where: Base-Base interactions energy: -1492.560 where: short stacking energy: -635.050 Base-Backbone interact. energy: -3.798 local terms energy: -694.491040 where: bonds (distance) C4'-P energy: -137.397 bonds (distance) P-C4' energy: -142.458 flat angles C4'-P-C4' energy: -143.350 flat angles P-C4'-P energy: -105.014 tors. eta vs tors. theta energy: -166.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2012.156633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.156633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.156633 (E_RNA) where: Base-Base interactions energy: -1361.634 where: short stacking energy: -585.117 Base-Backbone interact. energy: -2.782 local terms energy: -647.741574 where: bonds (distance) C4'-P energy: -126.397 bonds (distance) P-C4' energy: -131.104 flat angles C4'-P-C4' energy: -145.221 flat angles P-C4'-P energy: -98.138 tors. eta vs tors. theta energy: -146.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1752.607015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.607015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.607015 (E_RNA) where: Base-Base interactions energy: -1131.838 where: short stacking energy: -519.881 Base-Backbone interact. energy: -4.364 local terms energy: -616.957518 where: bonds (distance) C4'-P energy: -137.899 bonds (distance) P-C4' energy: -126.718 flat angles C4'-P-C4' energy: -137.925 flat angles P-C4'-P energy: -87.570 tors. eta vs tors. theta energy: -126.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.553 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1653.994755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.994755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.994755 (E_RNA) where: Base-Base interactions energy: -1061.070 where: short stacking energy: -468.907 Base-Backbone interact. energy: -1.057 local terms energy: -591.868316 where: bonds (distance) C4'-P energy: -123.533 bonds (distance) P-C4' energy: -142.231 flat angles C4'-P-C4' energy: -125.733 flat angles P-C4'-P energy: -90.737 tors. eta vs tors. theta energy: -109.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1387.165511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.165511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.165511 (E_RNA) where: Base-Base interactions energy: -893.654 where: short stacking energy: -416.740 Base-Backbone interact. energy: -3.128 local terms energy: -490.383313 where: bonds (distance) C4'-P energy: -110.919 bonds (distance) P-C4' energy: -124.244 flat angles C4'-P-C4' energy: -120.106 flat angles P-C4'-P energy: -53.206 tors. eta vs tors. theta energy: -81.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1066.792625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.792625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.792625 (E_RNA) where: Base-Base interactions energy: -579.579 where: short stacking energy: -296.085 Base-Backbone interact. energy: -2.355 local terms energy: -484.858136 where: bonds (distance) C4'-P energy: -127.413 bonds (distance) P-C4' energy: -124.009 flat angles C4'-P-C4' energy: -122.862 flat angles P-C4'-P energy: -86.045 tors. eta vs tors. theta energy: -24.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -832.435757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.435757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.435757 (E_RNA) where: Base-Base interactions energy: -409.074 where: short stacking energy: -246.862 Base-Backbone interact. energy: 9.350 local terms energy: -432.711643 where: bonds (distance) C4'-P energy: -115.187 bonds (distance) P-C4' energy: -123.081 flat angles C4'-P-C4' energy: -113.245 flat angles P-C4'-P energy: -70.932 tors. eta vs tors. theta energy: -10.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -561.999148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.999148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.999148 (E_RNA) where: Base-Base interactions energy: -210.583 where: short stacking energy: -149.193 Base-Backbone interact. energy: -0.048 local terms energy: -352.286676 where: bonds (distance) C4'-P energy: -129.397 bonds (distance) P-C4' energy: -122.900 flat angles C4'-P-C4' energy: -88.299 flat angles P-C4'-P energy: -43.294 tors. eta vs tors. theta energy: 31.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.919 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2421.868079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.868079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.868079 (E_RNA) where: Base-Base interactions energy: -1667.143 where: short stacking energy: -740.621 Base-Backbone interact. energy: 0.902 local terms energy: -755.627254 where: bonds (distance) C4'-P energy: -151.799 bonds (distance) P-C4' energy: -131.725 flat angles C4'-P-C4' energy: -162.655 flat angles P-C4'-P energy: -108.705 tors. eta vs tors. theta energy: -200.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2273.002162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.002162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.002162 (E_RNA) where: Base-Base interactions energy: -1531.376 where: short stacking energy: -693.349 Base-Backbone interact. energy: -1.061 local terms energy: -741.404833 where: bonds (distance) C4'-P energy: -131.681 bonds (distance) P-C4' energy: -159.083 flat angles C4'-P-C4' energy: -162.230 flat angles P-C4'-P energy: -100.167 tors. eta vs tors. theta energy: -188.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.840 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2156.054423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.054423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.054423 (E_RNA) where: Base-Base interactions energy: -1455.247 where: short stacking energy: -642.303 Base-Backbone interact. energy: -3.629 local terms energy: -697.178426 where: bonds (distance) C4'-P energy: -143.470 bonds (distance) P-C4' energy: -146.361 flat angles C4'-P-C4' energy: -148.172 flat angles P-C4'-P energy: -94.646 tors. eta vs tors. theta energy: -164.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1998.709358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.709358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.709358 (E_RNA) where: Base-Base interactions energy: -1321.055 where: short stacking energy: -550.322 Base-Backbone interact. energy: -1.632 local terms energy: -676.022715 where: bonds (distance) C4'-P energy: -163.113 bonds (distance) P-C4' energy: -134.964 flat angles C4'-P-C4' energy: -141.416 flat angles P-C4'-P energy: -96.867 tors. eta vs tors. theta energy: -139.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1783.200598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.200598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.200598 (E_RNA) where: Base-Base interactions energy: -1172.669 where: short stacking energy: -511.027 Base-Backbone interact. energy: 0.711 local terms energy: -611.375502 where: bonds (distance) C4'-P energy: -123.653 bonds (distance) P-C4' energy: -147.571 flat angles C4'-P-C4' energy: -153.985 flat angles P-C4'-P energy: -69.698 tors. eta vs tors. theta energy: -116.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.132 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1699.909271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.909271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.909271 (E_RNA) where: Base-Base interactions energy: -1112.162 where: short stacking energy: -509.385 Base-Backbone interact. energy: 4.097 local terms energy: -591.844252 where: bonds (distance) C4'-P energy: -126.729 bonds (distance) P-C4' energy: -139.462 flat angles C4'-P-C4' energy: -135.953 flat angles P-C4'-P energy: -72.497 tors. eta vs tors. theta energy: -117.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1462.315886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.315886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.315886 (E_RNA) where: Base-Base interactions energy: -927.552 where: short stacking energy: -431.081 Base-Backbone interact. energy: 4.273 local terms energy: -539.037611 where: bonds (distance) C4'-P energy: -118.536 bonds (distance) P-C4' energy: -131.270 flat angles C4'-P-C4' energy: -110.060 flat angles P-C4'-P energy: -89.053 tors. eta vs tors. theta energy: -90.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -987.737686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.737686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.737686 (E_RNA) where: Base-Base interactions energy: -494.875 where: short stacking energy: -251.065 Base-Backbone interact. energy: -0.950 local terms energy: -491.912598 where: bonds (distance) C4'-P energy: -143.124 bonds (distance) P-C4' energy: -131.809 flat angles C4'-P-C4' energy: -122.872 flat angles P-C4'-P energy: -62.483 tors. eta vs tors. theta energy: -31.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -859.858327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.858327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.858327 (E_RNA) where: Base-Base interactions energy: -417.090 where: short stacking energy: -264.036 Base-Backbone interact. energy: 1.885 local terms energy: -444.653757 where: bonds (distance) C4'-P energy: -116.810 bonds (distance) P-C4' energy: -130.110 flat angles C4'-P-C4' energy: -104.655 flat angles P-C4'-P energy: -73.566 tors. eta vs tors. theta energy: -19.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -607.318488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.318488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.318488 (E_RNA) where: Base-Base interactions energy: -223.345 where: short stacking energy: -178.974 Base-Backbone interact. energy: -1.346 local terms energy: -382.628036 where: bonds (distance) C4'-P energy: -116.165 bonds (distance) P-C4' energy: -119.684 flat angles C4'-P-C4' energy: -101.392 flat angles P-C4'-P energy: -60.319 tors. eta vs tors. theta energy: 14.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2397.406936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.406936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.406936 (E_RNA) where: Base-Base interactions energy: -1619.850 where: short stacking energy: -701.671 Base-Backbone interact. energy: -2.923 local terms energy: -774.633712 where: bonds (distance) C4'-P energy: -148.334 bonds (distance) P-C4' energy: -141.182 flat angles C4'-P-C4' energy: -164.419 flat angles P-C4'-P energy: -117.065 tors. eta vs tors. theta energy: -203.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2238.013615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.013615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.013615 (E_RNA) where: Base-Base interactions energy: -1524.380 where: short stacking energy: -655.272 Base-Backbone interact. energy: -0.884 local terms energy: -712.749650 where: bonds (distance) C4'-P energy: -141.483 bonds (distance) P-C4' energy: -136.851 flat angles C4'-P-C4' energy: -153.442 flat angles P-C4'-P energy: -101.814 tors. eta vs tors. theta energy: -179.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2189.712374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.712374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.712374 (E_RNA) where: Base-Base interactions energy: -1468.195 where: short stacking energy: -627.172 Base-Backbone interact. energy: -2.189 local terms energy: -719.328841 where: bonds (distance) C4'-P energy: -141.132 bonds (distance) P-C4' energy: -148.516 flat angles C4'-P-C4' energy: -153.435 flat angles P-C4'-P energy: -110.003 tors. eta vs tors. theta energy: -166.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2037.907155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.907155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.907155 (E_RNA) where: Base-Base interactions energy: -1361.880 where: short stacking energy: -572.044 Base-Backbone interact. energy: -1.437 local terms energy: -674.590396 where: bonds (distance) C4'-P energy: -116.237 bonds (distance) P-C4' energy: -144.661 flat angles C4'-P-C4' energy: -161.853 flat angles P-C4'-P energy: -98.015 tors. eta vs tors. theta energy: -153.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1793.941745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.941745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.941745 (E_RNA) where: Base-Base interactions energy: -1147.287 where: short stacking energy: -545.072 Base-Backbone interact. energy: -2.676 local terms energy: -643.978560 where: bonds (distance) C4'-P energy: -128.017 bonds (distance) P-C4' energy: -135.765 flat angles C4'-P-C4' energy: -139.370 flat angles P-C4'-P energy: -96.134 tors. eta vs tors. theta energy: -144.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1703.529293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.529293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.529293 (E_RNA) where: Base-Base interactions energy: -1079.813 where: short stacking energy: -481.978 Base-Backbone interact. energy: -0.306 local terms energy: -623.410375 where: bonds (distance) C4'-P energy: -128.701 bonds (distance) P-C4' energy: -144.497 flat angles C4'-P-C4' energy: -149.472 flat angles P-C4'-P energy: -82.441 tors. eta vs tors. theta energy: -118.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1496.993819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.993819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.993819 (E_RNA) where: Base-Base interactions energy: -970.460 where: short stacking energy: -453.974 Base-Backbone interact. energy: -0.892 local terms energy: -525.641463 where: bonds (distance) C4'-P energy: -101.149 bonds (distance) P-C4' energy: -129.573 flat angles C4'-P-C4' energy: -119.276 flat angles P-C4'-P energy: -83.233 tors. eta vs tors. theta energy: -92.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -958.083966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.083966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.083966 (E_RNA) where: Base-Base interactions energy: -526.888 where: short stacking energy: -262.983 Base-Backbone interact. energy: -0.723 local terms energy: -430.472280 where: bonds (distance) C4'-P energy: -110.195 bonds (distance) P-C4' energy: -135.500 flat angles C4'-P-C4' energy: -107.666 flat angles P-C4'-P energy: -68.923 tors. eta vs tors. theta energy: -8.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -855.419440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.419440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.419440 (E_RNA) where: Base-Base interactions energy: -400.767 where: short stacking energy: -229.038 Base-Backbone interact. energy: -2.444 local terms energy: -452.208996 where: bonds (distance) C4'-P energy: -122.265 bonds (distance) P-C4' energy: -131.455 flat angles C4'-P-C4' energy: -106.263 flat angles P-C4'-P energy: -78.510 tors. eta vs tors. theta energy: -13.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -652.480160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.480160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.480160 (E_RNA) where: Base-Base interactions energy: -267.718 where: short stacking energy: -178.848 Base-Backbone interact. energy: 2.207 local terms energy: -386.969591 where: bonds (distance) C4'-P energy: -120.510 bonds (distance) P-C4' energy: -115.677 flat angles C4'-P-C4' energy: -118.998 flat angles P-C4'-P energy: -52.811 tors. eta vs tors. theta energy: 21.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2390.336297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.336297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.336297 (E_RNA) where: Base-Base interactions energy: -1612.844 where: short stacking energy: -688.235 Base-Backbone interact. energy: -4.127 local terms energy: -773.364711 where: bonds (distance) C4'-P energy: -149.625 bonds (distance) P-C4' energy: -153.661 flat angles C4'-P-C4' energy: -173.127 flat angles P-C4'-P energy: -97.200 tors. eta vs tors. theta energy: -199.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2239.065836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.065836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.065836 (E_RNA) where: Base-Base interactions energy: -1522.470 where: short stacking energy: -670.715 Base-Backbone interact. energy: -2.967 local terms energy: -713.629098 where: bonds (distance) C4'-P energy: -134.997 bonds (distance) P-C4' energy: -138.237 flat angles C4'-P-C4' energy: -149.576 flat angles P-C4'-P energy: -119.870 tors. eta vs tors. theta energy: -170.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2118.508660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.508660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.508660 (E_RNA) where: Base-Base interactions energy: -1415.526 where: short stacking energy: -644.500 Base-Backbone interact. energy: -2.417 local terms energy: -700.565609 where: bonds (distance) C4'-P energy: -135.643 bonds (distance) P-C4' energy: -148.478 flat angles C4'-P-C4' energy: -143.141 flat angles P-C4'-P energy: -101.045 tors. eta vs tors. theta energy: -172.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2095.951989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.951989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.951989 (E_RNA) where: Base-Base interactions energy: -1412.723 where: short stacking energy: -587.779 Base-Backbone interact. energy: -2.115 local terms energy: -681.114280 where: bonds (distance) C4'-P energy: -144.159 bonds (distance) P-C4' energy: -127.952 flat angles C4'-P-C4' energy: -150.914 flat angles P-C4'-P energy: -94.634 tors. eta vs tors. theta energy: -163.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1846.383901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.383901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.383901 (E_RNA) where: Base-Base interactions energy: -1191.995 where: short stacking energy: -522.439 Base-Backbone interact. energy: -1.387 local terms energy: -653.001581 where: bonds (distance) C4'-P energy: -141.170 bonds (distance) P-C4' energy: -132.623 flat angles C4'-P-C4' energy: -154.201 flat angles P-C4'-P energy: -94.093 tors. eta vs tors. theta energy: -130.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1662.493840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.493840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.493840 (E_RNA) where: Base-Base interactions energy: -1072.399 where: short stacking energy: -477.252 Base-Backbone interact. energy: 0.812 local terms energy: -590.907480 where: bonds (distance) C4'-P energy: -115.691 bonds (distance) P-C4' energy: -142.151 flat angles C4'-P-C4' energy: -138.592 flat angles P-C4'-P energy: -82.553 tors. eta vs tors. theta energy: -111.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1584.721654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.721654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.721654 (E_RNA) where: Base-Base interactions energy: -1021.124 where: short stacking energy: -479.427 Base-Backbone interact. energy: -3.188 local terms energy: -560.409938 where: bonds (distance) C4'-P energy: -102.221 bonds (distance) P-C4' energy: -146.707 flat angles C4'-P-C4' energy: -143.721 flat angles P-C4'-P energy: -75.518 tors. eta vs tors. theta energy: -92.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1069.734239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.734239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.734239 (E_RNA) where: Base-Base interactions energy: -577.571 where: short stacking energy: -312.673 Base-Backbone interact. energy: -4.841 local terms energy: -487.322297 where: bonds (distance) C4'-P energy: -140.506 bonds (distance) P-C4' energy: -135.582 flat angles C4'-P-C4' energy: -121.413 flat angles P-C4'-P energy: -62.852 tors. eta vs tors. theta energy: -26.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -789.829341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.829341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.829341 (E_RNA) where: Base-Base interactions energy: -354.570 where: short stacking energy: -226.703 Base-Backbone interact. energy: -1.823 local terms energy: -433.436021 where: bonds (distance) C4'-P energy: -126.377 bonds (distance) P-C4' energy: -135.638 flat angles C4'-P-C4' energy: -105.934 flat angles P-C4'-P energy: -69.006 tors. eta vs tors. theta energy: 3.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -660.016965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.016965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.016965 (E_RNA) where: Base-Base interactions energy: -284.370 where: short stacking energy: -172.227 Base-Backbone interact. energy: -0.315 local terms energy: -375.332392 where: bonds (distance) C4'-P energy: -118.235 bonds (distance) P-C4' energy: -118.870 flat angles C4'-P-C4' energy: -93.230 flat angles P-C4'-P energy: -57.436 tors. eta vs tors. theta energy: 12.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2393.970023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.970023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.970023 (E_RNA) where: Base-Base interactions energy: -1640.789 where: short stacking energy: -710.490 Base-Backbone interact. energy: -0.814 local terms energy: -752.367186 where: bonds (distance) C4'-P energy: -154.188 bonds (distance) P-C4' energy: -143.877 flat angles C4'-P-C4' energy: -178.293 flat angles P-C4'-P energy: -92.802 tors. eta vs tors. theta energy: -183.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2284.341379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.341379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.341379 (E_RNA) where: Base-Base interactions energy: -1529.996 where: short stacking energy: -689.082 Base-Backbone interact. energy: -3.629 local terms energy: -750.715953 where: bonds (distance) C4'-P energy: -137.796 bonds (distance) P-C4' energy: -145.538 flat angles C4'-P-C4' energy: -164.736 flat angles P-C4'-P energy: -116.321 tors. eta vs tors. theta energy: -186.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2126.177314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.177314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.177314 (E_RNA) where: Base-Base interactions energy: -1420.414 where: short stacking energy: -652.897 Base-Backbone interact. energy: -2.186 local terms energy: -703.577212 where: bonds (distance) C4'-P energy: -144.687 bonds (distance) P-C4' energy: -132.278 flat angles C4'-P-C4' energy: -159.286 flat angles P-C4'-P energy: -109.943 tors. eta vs tors. theta energy: -157.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2119.043453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.043453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.043453 (E_RNA) where: Base-Base interactions energy: -1428.003 where: short stacking energy: -649.474 Base-Backbone interact. energy: -0.145 local terms energy: -690.895070 where: bonds (distance) C4'-P energy: -132.414 bonds (distance) P-C4' energy: -126.040 flat angles C4'-P-C4' energy: -166.399 flat angles P-C4'-P energy: -93.526 tors. eta vs tors. theta energy: -172.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1814.423336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.423336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.423336 (E_RNA) where: Base-Base interactions energy: -1178.430 where: short stacking energy: -526.598 Base-Backbone interact. energy: 1.400 local terms energy: -637.394236 where: bonds (distance) C4'-P energy: -124.636 bonds (distance) P-C4' energy: -149.867 flat angles C4'-P-C4' energy: -144.016 flat angles P-C4'-P energy: -83.238 tors. eta vs tors. theta energy: -135.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1679.393456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.393456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.393456 (E_RNA) where: Base-Base interactions energy: -1063.546 where: short stacking energy: -499.617 Base-Backbone interact. energy: -1.845 local terms energy: -614.002571 where: bonds (distance) C4'-P energy: -125.609 bonds (distance) P-C4' energy: -147.727 flat angles C4'-P-C4' energy: -150.139 flat angles P-C4'-P energy: -85.371 tors. eta vs tors. theta energy: -105.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1617.883835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.883835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.883835 (E_RNA) where: Base-Base interactions energy: -1062.919 where: short stacking energy: -463.720 Base-Backbone interact. energy: -1.408 local terms energy: -554.124127 where: bonds (distance) C4'-P energy: -108.838 bonds (distance) P-C4' energy: -139.935 flat angles C4'-P-C4' energy: -120.018 flat angles P-C4'-P energy: -76.588 tors. eta vs tors. theta energy: -108.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.567 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1089.724975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.724975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.724975 (E_RNA) where: Base-Base interactions energy: -583.914 where: short stacking energy: -294.415 Base-Backbone interact. energy: 0.086 local terms energy: -505.897558 where: bonds (distance) C4'-P energy: -132.824 bonds (distance) P-C4' energy: -141.454 flat angles C4'-P-C4' energy: -111.671 flat angles P-C4'-P energy: -76.232 tors. eta vs tors. theta energy: -43.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -836.162463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.162463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.162463 (E_RNA) where: Base-Base interactions energy: -439.007 where: short stacking energy: -275.146 Base-Backbone interact. energy: 0.321 local terms energy: -397.476025 where: bonds (distance) C4'-P energy: -110.946 bonds (distance) P-C4' energy: -138.139 flat angles C4'-P-C4' energy: -88.641 flat angles P-C4'-P energy: -57.472 tors. eta vs tors. theta energy: -2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -649.539102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.539102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.539102 (E_RNA) where: Base-Base interactions energy: -281.380 where: short stacking energy: -198.755 Base-Backbone interact. energy: -1.255 local terms energy: -366.904992 where: bonds (distance) C4'-P energy: -105.780 bonds (distance) P-C4' energy: -118.213 flat angles C4'-P-C4' energy: -89.992 flat angles P-C4'-P energy: -67.596 tors. eta vs tors. theta energy: 14.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2390.727340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.727340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.727340 (E_RNA) where: Base-Base interactions energy: -1645.601 where: short stacking energy: -695.297 Base-Backbone interact. energy: -2.227 local terms energy: -742.899834 where: bonds (distance) C4'-P energy: -140.676 bonds (distance) P-C4' energy: -151.624 flat angles C4'-P-C4' energy: -165.268 flat angles P-C4'-P energy: -96.413 tors. eta vs tors. theta energy: -188.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2290.734060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.734060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.734060 (E_RNA) where: Base-Base interactions energy: -1564.432 where: short stacking energy: -696.349 Base-Backbone interact. energy: 6.804 local terms energy: -733.105970 where: bonds (distance) C4'-P energy: -114.330 bonds (distance) P-C4' energy: -153.559 flat angles C4'-P-C4' energy: -163.633 flat angles P-C4'-P energy: -112.880 tors. eta vs tors. theta energy: -188.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2165.450694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.450694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.450694 (E_RNA) where: Base-Base interactions energy: -1442.877 where: short stacking energy: -656.882 Base-Backbone interact. energy: -0.469 local terms energy: -722.105053 where: bonds (distance) C4'-P energy: -138.832 bonds (distance) P-C4' energy: -148.806 flat angles C4'-P-C4' energy: -158.727 flat angles P-C4'-P energy: -91.580 tors. eta vs tors. theta energy: -184.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2052.590273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.590273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.590273 (E_RNA) where: Base-Base interactions energy: -1347.255 where: short stacking energy: -608.936 Base-Backbone interact. energy: -2.941 local terms energy: -702.393730 where: bonds (distance) C4'-P energy: -139.002 bonds (distance) P-C4' energy: -130.032 flat angles C4'-P-C4' energy: -151.139 flat angles P-C4'-P energy: -94.937 tors. eta vs tors. theta energy: -187.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1784.721653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.721653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.721653 (E_RNA) where: Base-Base interactions energy: -1151.342 where: short stacking energy: -491.664 Base-Backbone interact. energy: -1.668 local terms energy: -631.712030 where: bonds (distance) C4'-P energy: -132.507 bonds (distance) P-C4' energy: -148.704 flat angles C4'-P-C4' energy: -141.707 flat angles P-C4'-P energy: -81.118 tors. eta vs tors. theta energy: -127.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1650.178015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.178015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.178015 (E_RNA) where: Base-Base interactions energy: -1095.327 where: short stacking energy: -514.953 Base-Backbone interact. energy: -0.564 local terms energy: -554.287330 where: bonds (distance) C4'-P energy: -108.555 bonds (distance) P-C4' energy: -119.498 flat angles C4'-P-C4' energy: -127.745 flat angles P-C4'-P energy: -83.620 tors. eta vs tors. theta energy: -114.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1674.620535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.620535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.620535 (E_RNA) where: Base-Base interactions energy: -1097.705 where: short stacking energy: -487.929 Base-Backbone interact. energy: -1.766 local terms energy: -575.149328 where: bonds (distance) C4'-P energy: -105.619 bonds (distance) P-C4' energy: -125.514 flat angles C4'-P-C4' energy: -144.567 flat angles P-C4'-P energy: -87.902 tors. eta vs tors. theta energy: -111.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1198.569256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.569256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.569256 (E_RNA) where: Base-Base interactions energy: -732.277 where: short stacking energy: -349.528 Base-Backbone interact. energy: -3.324 local terms energy: -462.967937 where: bonds (distance) C4'-P energy: -127.576 bonds (distance) P-C4' energy: -122.825 flat angles C4'-P-C4' energy: -100.229 flat angles P-C4'-P energy: -66.077 tors. eta vs tors. theta energy: -46.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -867.997993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.997993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.997993 (E_RNA) where: Base-Base interactions energy: -440.455 where: short stacking energy: -251.533 Base-Backbone interact. energy: 0.298 local terms energy: -427.840696 where: bonds (distance) C4'-P energy: -110.007 bonds (distance) P-C4' energy: -121.389 flat angles C4'-P-C4' energy: -123.039 flat angles P-C4'-P energy: -60.104 tors. eta vs tors. theta energy: -13.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -681.536129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.536129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.536129 (E_RNA) where: Base-Base interactions energy: -303.788 where: short stacking energy: -184.437 Base-Backbone interact. energy: 4.278 local terms energy: -382.026314 where: bonds (distance) C4'-P energy: -102.745 bonds (distance) P-C4' energy: -105.677 flat angles C4'-P-C4' energy: -117.058 flat angles P-C4'-P energy: -64.638 tors. eta vs tors. theta energy: 8.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2356.985271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.985271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.985271 (E_RNA) where: Base-Base interactions energy: -1598.002 where: short stacking energy: -679.646 Base-Backbone interact. energy: -2.526 local terms energy: -756.457130 where: bonds (distance) C4'-P energy: -150.570 bonds (distance) P-C4' energy: -148.584 flat angles C4'-P-C4' energy: -160.692 flat angles P-C4'-P energy: -111.102 tors. eta vs tors. theta energy: -185.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2302.332330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.332330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.332330 (E_RNA) where: Base-Base interactions energy: -1559.975 where: short stacking energy: -662.380 Base-Backbone interact. energy: 2.378 local terms energy: -744.736108 where: bonds (distance) C4'-P energy: -131.880 bonds (distance) P-C4' energy: -150.788 flat angles C4'-P-C4' energy: -170.101 flat angles P-C4'-P energy: -107.673 tors. eta vs tors. theta energy: -184.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2120.288844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.288844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.288844 (E_RNA) where: Base-Base interactions energy: -1431.446 where: short stacking energy: -626.845 Base-Backbone interact. energy: -2.084 local terms energy: -686.759363 where: bonds (distance) C4'-P energy: -145.467 bonds (distance) P-C4' energy: -140.320 flat angles C4'-P-C4' energy: -144.641 flat angles P-C4'-P energy: -97.436 tors. eta vs tors. theta energy: -158.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2012.715595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.715595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.715595 (E_RNA) where: Base-Base interactions energy: -1341.107 where: short stacking energy: -599.697 Base-Backbone interact. energy: 1.004 local terms energy: -672.612850 where: bonds (distance) C4'-P energy: -135.723 bonds (distance) P-C4' energy: -141.604 flat angles C4'-P-C4' energy: -153.476 flat angles P-C4'-P energy: -92.585 tors. eta vs tors. theta energy: -149.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1820.563208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.563208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.563208 (E_RNA) where: Base-Base interactions energy: -1214.423 where: short stacking energy: -520.075 Base-Backbone interact. energy: -1.879 local terms energy: -604.261054 where: bonds (distance) C4'-P energy: -132.321 bonds (distance) P-C4' energy: -138.717 flat angles C4'-P-C4' energy: -140.405 flat angles P-C4'-P energy: -69.780 tors. eta vs tors. theta energy: -123.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1703.204237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.204237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.204237 (E_RNA) where: Base-Base interactions energy: -1117.642 where: short stacking energy: -516.111 Base-Backbone interact. energy: 0.439 local terms energy: -586.001143 where: bonds (distance) C4'-P energy: -113.612 bonds (distance) P-C4' energy: -126.684 flat angles C4'-P-C4' energy: -131.013 flat angles P-C4'-P energy: -85.439 tors. eta vs tors. theta energy: -129.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1697.129717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.129717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.129717 (E_RNA) where: Base-Base interactions energy: -1100.988 where: short stacking energy: -473.172 Base-Backbone interact. energy: -1.190 local terms energy: -594.951630 where: bonds (distance) C4'-P energy: -116.929 bonds (distance) P-C4' energy: -142.792 flat angles C4'-P-C4' energy: -142.602 flat angles P-C4'-P energy: -77.073 tors. eta vs tors. theta energy: -115.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1195.932927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.932927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.932927 (E_RNA) where: Base-Base interactions energy: -717.615 where: short stacking energy: -376.037 Base-Backbone interact. energy: -1.230 local terms energy: -477.087878 where: bonds (distance) C4'-P energy: -121.184 bonds (distance) P-C4' energy: -120.054 flat angles C4'-P-C4' energy: -126.703 flat angles P-C4'-P energy: -53.490 tors. eta vs tors. theta energy: -55.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -824.947411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.947411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.947411 (E_RNA) where: Base-Base interactions energy: -428.871 where: short stacking energy: -253.006 Base-Backbone interact. energy: 8.155 local terms energy: -404.231608 where: bonds (distance) C4'-P energy: -109.665 bonds (distance) P-C4' energy: -130.787 flat angles C4'-P-C4' energy: -98.889 flat angles P-C4'-P energy: -58.246 tors. eta vs tors. theta energy: -6.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -674.578974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.578974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.578974 (E_RNA) where: Base-Base interactions energy: -339.597 where: short stacking energy: -226.784 Base-Backbone interact. energy: 7.566 local terms energy: -342.548253 where: bonds (distance) C4'-P energy: -97.940 bonds (distance) P-C4' energy: -116.598 flat angles C4'-P-C4' energy: -86.595 flat angles P-C4'-P energy: -49.357 tors. eta vs tors. theta energy: 7.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2385.694167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.694167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.694167 (E_RNA) where: Base-Base interactions energy: -1643.151 where: short stacking energy: -724.512 Base-Backbone interact. energy: -1.962 local terms energy: -740.581159 where: bonds (distance) C4'-P energy: -129.604 bonds (distance) P-C4' energy: -144.268 flat angles C4'-P-C4' energy: -169.065 flat angles P-C4'-P energy: -100.119 tors. eta vs tors. theta energy: -197.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2279.628312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.628312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.628312 (E_RNA) where: Base-Base interactions energy: -1539.063 where: short stacking energy: -653.095 Base-Backbone interact. energy: 0.958 local terms energy: -741.523036 where: bonds (distance) C4'-P energy: -154.598 bonds (distance) P-C4' energy: -153.156 flat angles C4'-P-C4' energy: -165.497 flat angles P-C4'-P energy: -100.870 tors. eta vs tors. theta energy: -167.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2177.929411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.929411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.929411 (E_RNA) where: Base-Base interactions energy: -1463.932 where: short stacking energy: -654.359 Base-Backbone interact. energy: -2.018 local terms energy: -711.979959 where: bonds (distance) C4'-P energy: -137.016 bonds (distance) P-C4' energy: -133.540 flat angles C4'-P-C4' energy: -153.442 flat angles P-C4'-P energy: -108.381 tors. eta vs tors. theta energy: -179.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2009.955546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.955546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.955546 (E_RNA) where: Base-Base interactions energy: -1311.681 where: short stacking energy: -598.992 Base-Backbone interact. energy: -3.087 local terms energy: -695.187256 where: bonds (distance) C4'-P energy: -135.953 bonds (distance) P-C4' energy: -143.260 flat angles C4'-P-C4' energy: -151.313 flat angles P-C4'-P energy: -88.806 tors. eta vs tors. theta energy: -175.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1813.336440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.336440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.336440 (E_RNA) where: Base-Base interactions energy: -1183.929 where: short stacking energy: -534.854 Base-Backbone interact. energy: -2.797 local terms energy: -626.610088 where: bonds (distance) C4'-P energy: -119.121 bonds (distance) P-C4' energy: -151.925 flat angles C4'-P-C4' energy: -148.335 flat angles P-C4'-P energy: -76.267 tors. eta vs tors. theta energy: -130.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1686.678751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.678751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.678751 (E_RNA) where: Base-Base interactions energy: -1094.871 where: short stacking energy: -517.578 Base-Backbone interact. energy: -0.566 local terms energy: -591.241664 where: bonds (distance) C4'-P energy: -120.742 bonds (distance) P-C4' energy: -137.059 flat angles C4'-P-C4' energy: -130.523 flat angles P-C4'-P energy: -73.593 tors. eta vs tors. theta energy: -129.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1671.634408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.634408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.634408 (E_RNA) where: Base-Base interactions energy: -1073.445 where: short stacking energy: -478.193 Base-Backbone interact. energy: 3.623 local terms energy: -601.813144 where: bonds (distance) C4'-P energy: -114.458 bonds (distance) P-C4' energy: -143.331 flat angles C4'-P-C4' energy: -131.910 flat angles P-C4'-P energy: -98.111 tors. eta vs tors. theta energy: -114.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1213.682558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.682558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.682558 (E_RNA) where: Base-Base interactions energy: -698.173 where: short stacking energy: -339.774 Base-Backbone interact. energy: -2.438 local terms energy: -513.071926 where: bonds (distance) C4'-P energy: -121.307 bonds (distance) P-C4' energy: -143.036 flat angles C4'-P-C4' energy: -133.185 flat angles P-C4'-P energy: -55.724 tors. eta vs tors. theta energy: -59.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -876.122864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.122864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.122864 (E_RNA) where: Base-Base interactions energy: -463.746 where: short stacking energy: -250.224 Base-Backbone interact. energy: -2.508 local terms energy: -409.869441 where: bonds (distance) C4'-P energy: -124.988 bonds (distance) P-C4' energy: -120.472 flat angles C4'-P-C4' energy: -105.881 flat angles P-C4'-P energy: -52.963 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -714.810516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.810516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.810516 (E_RNA) where: Base-Base interactions energy: -323.662 where: short stacking energy: -219.125 Base-Backbone interact. energy: 2.488 local terms energy: -393.636378 where: bonds (distance) C4'-P energy: -111.940 bonds (distance) P-C4' energy: -133.405 flat angles C4'-P-C4' energy: -124.767 flat angles P-C4'-P energy: -39.177 tors. eta vs tors. theta energy: 15.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2389.053987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.053987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.053987 (E_RNA) where: Base-Base interactions energy: -1617.650 where: short stacking energy: -704.359 Base-Backbone interact. energy: -3.959 local terms energy: -767.444605 where: bonds (distance) C4'-P energy: -157.269 bonds (distance) P-C4' energy: -144.097 flat angles C4'-P-C4' energy: -152.371 flat angles P-C4'-P energy: -116.362 tors. eta vs tors. theta energy: -197.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2291.264227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.264227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.264227 (E_RNA) where: Base-Base interactions energy: -1551.528 where: short stacking energy: -664.479 Base-Backbone interact. energy: -0.246 local terms energy: -739.952265 where: bonds (distance) C4'-P energy: -145.834 bonds (distance) P-C4' energy: -156.196 flat angles C4'-P-C4' energy: -160.481 flat angles P-C4'-P energy: -105.946 tors. eta vs tors. theta energy: -171.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.463 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2155.479979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.479979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.479979 (E_RNA) where: Base-Base interactions energy: -1413.381 where: short stacking energy: -618.282 Base-Backbone interact. energy: -2.458 local terms energy: -739.640570 where: bonds (distance) C4'-P energy: -145.019 bonds (distance) P-C4' energy: -153.211 flat angles C4'-P-C4' energy: -167.018 flat angles P-C4'-P energy: -103.768 tors. eta vs tors. theta energy: -170.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2058.159007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.159007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.159007 (E_RNA) where: Base-Base interactions energy: -1356.736 where: short stacking energy: -621.572 Base-Backbone interact. energy: -1.905 local terms energy: -699.518234 where: bonds (distance) C4'-P energy: -142.618 bonds (distance) P-C4' energy: -131.123 flat angles C4'-P-C4' energy: -142.585 flat angles P-C4'-P energy: -102.055 tors. eta vs tors. theta energy: -181.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1868.222494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.222494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.222494 (E_RNA) where: Base-Base interactions energy: -1228.869 where: short stacking energy: -551.650 Base-Backbone interact. energy: -3.894 local terms energy: -635.460040 where: bonds (distance) C4'-P energy: -129.574 bonds (distance) P-C4' energy: -122.355 flat angles C4'-P-C4' energy: -145.310 flat angles P-C4'-P energy: -92.737 tors. eta vs tors. theta energy: -145.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1734.547649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.547649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.547649 (E_RNA) where: Base-Base interactions energy: -1086.558 where: short stacking energy: -484.297 Base-Backbone interact. energy: -1.415 local terms energy: -646.575027 where: bonds (distance) C4'-P energy: -140.160 bonds (distance) P-C4' energy: -151.193 flat angles C4'-P-C4' energy: -128.137 flat angles P-C4'-P energy: -96.415 tors. eta vs tors. theta energy: -130.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1554.226155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.226155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.226155 (E_RNA) where: Base-Base interactions energy: -1017.296 where: short stacking energy: -433.774 Base-Backbone interact. energy: 3.047 local terms energy: -539.977041 where: bonds (distance) C4'-P energy: -117.851 bonds (distance) P-C4' energy: -126.232 flat angles C4'-P-C4' energy: -127.393 flat angles P-C4'-P energy: -76.618 tors. eta vs tors. theta energy: -91.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1212.985737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.985737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.985737 (E_RNA) where: Base-Base interactions energy: -736.216 where: short stacking energy: -364.973 Base-Backbone interact. energy: 0.747 local terms energy: -477.517446 where: bonds (distance) C4'-P energy: -107.793 bonds (distance) P-C4' energy: -134.442 flat angles C4'-P-C4' energy: -113.433 flat angles P-C4'-P energy: -68.906 tors. eta vs tors. theta energy: -52.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -945.724130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.724130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.724130 (E_RNA) where: Base-Base interactions energy: -494.678 where: short stacking energy: -253.122 Base-Backbone interact. energy: -4.580 local terms energy: -446.466224 where: bonds (distance) C4'-P energy: -113.493 bonds (distance) P-C4' energy: -128.827 flat angles C4'-P-C4' energy: -127.286 flat angles P-C4'-P energy: -69.724 tors. eta vs tors. theta energy: -7.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -646.980646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.980646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.980646 (E_RNA) where: Base-Base interactions energy: -281.064 where: short stacking energy: -180.643 Base-Backbone interact. energy: -1.921 local terms energy: -363.995131 where: bonds (distance) C4'-P energy: -128.735 bonds (distance) P-C4' energy: -131.417 flat angles C4'-P-C4' energy: -92.264 flat angles P-C4'-P energy: -37.429 tors. eta vs tors. theta energy: 25.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2432.322840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.322840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.322840 (E_RNA) where: Base-Base interactions energy: -1651.544 where: short stacking energy: -709.686 Base-Backbone interact. energy: -4.365 local terms energy: -776.413611 where: bonds (distance) C4'-P energy: -156.614 bonds (distance) P-C4' energy: -149.359 flat angles C4'-P-C4' energy: -169.686 flat angles P-C4'-P energy: -110.146 tors. eta vs tors. theta energy: -190.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2298.063357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.063357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.063357 (E_RNA) where: Base-Base interactions energy: -1551.705 where: short stacking energy: -644.229 Base-Backbone interact. energy: -2.529 local terms energy: -744.092977 where: bonds (distance) C4'-P energy: -135.270 bonds (distance) P-C4' energy: -148.200 flat angles C4'-P-C4' energy: -159.562 flat angles P-C4'-P energy: -117.190 tors. eta vs tors. theta energy: -183.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.264 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2158.595000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.595000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.595000 (E_RNA) where: Base-Base interactions energy: -1457.283 where: short stacking energy: -641.727 Base-Backbone interact. energy: 3.711 local terms energy: -705.023126 where: bonds (distance) C4'-P energy: -135.394 bonds (distance) P-C4' energy: -133.044 flat angles C4'-P-C4' energy: -160.615 flat angles P-C4'-P energy: -109.256 tors. eta vs tors. theta energy: -166.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2034.285085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.285085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.285085 (E_RNA) where: Base-Base interactions energy: -1338.218 where: short stacking energy: -636.161 Base-Backbone interact. energy: 0.170 local terms energy: -696.237277 where: bonds (distance) C4'-P energy: -128.392 bonds (distance) P-C4' energy: -136.876 flat angles C4'-P-C4' energy: -154.536 flat angles P-C4'-P energy: -103.516 tors. eta vs tors. theta energy: -172.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1792.808876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.808876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.808876 (E_RNA) where: Base-Base interactions energy: -1167.665 where: short stacking energy: -517.754 Base-Backbone interact. energy: -3.275 local terms energy: -624.041891 where: bonds (distance) C4'-P energy: -125.145 bonds (distance) P-C4' energy: -134.323 flat angles C4'-P-C4' energy: -137.415 flat angles P-C4'-P energy: -103.154 tors. eta vs tors. theta energy: -124.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.173 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1746.326413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.326413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.326413 (E_RNA) where: Base-Base interactions energy: -1139.895 where: short stacking energy: -495.533 Base-Backbone interact. energy: -0.432 local terms energy: -605.999994 where: bonds (distance) C4'-P energy: -99.680 bonds (distance) P-C4' energy: -143.138 flat angles C4'-P-C4' energy: -154.398 flat angles P-C4'-P energy: -80.388 tors. eta vs tors. theta energy: -128.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1517.108773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.108773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.108773 (E_RNA) where: Base-Base interactions energy: -978.578 where: short stacking energy: -415.219 Base-Backbone interact. energy: -2.304 local terms energy: -536.227021 where: bonds (distance) C4'-P energy: -105.918 bonds (distance) P-C4' energy: -137.723 flat angles C4'-P-C4' energy: -113.991 flat angles P-C4'-P energy: -87.173 tors. eta vs tors. theta energy: -91.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1141.280402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.280402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.280402 (E_RNA) where: Base-Base interactions energy: -689.360 where: short stacking energy: -332.684 Base-Backbone interact. energy: -3.299 local terms energy: -448.621486 where: bonds (distance) C4'-P energy: -101.987 bonds (distance) P-C4' energy: -112.967 flat angles C4'-P-C4' energy: -136.009 flat angles P-C4'-P energy: -84.373 tors. eta vs tors. theta energy: -13.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -927.408146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.408146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.408146 (E_RNA) where: Base-Base interactions energy: -506.762 where: short stacking energy: -273.046 Base-Backbone interact. energy: -1.356 local terms energy: -419.290254 where: bonds (distance) C4'-P energy: -115.424 bonds (distance) P-C4' energy: -119.661 flat angles C4'-P-C4' energy: -113.044 flat angles P-C4'-P energy: -63.109 tors. eta vs tors. theta energy: -8.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -577.431905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.431905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.431905 (E_RNA) where: Base-Base interactions energy: -225.957 where: short stacking energy: -144.987 Base-Backbone interact. energy: 2.755 local terms energy: -354.229401 where: bonds (distance) C4'-P energy: -101.921 bonds (distance) P-C4' energy: -135.486 flat angles C4'-P-C4' energy: -114.997 flat angles P-C4'-P energy: -48.165 tors. eta vs tors. theta energy: 46.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2384.104725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.104725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.104725 (E_RNA) where: Base-Base interactions energy: -1623.004 where: short stacking energy: -696.948 Base-Backbone interact. energy: -6.128 local terms energy: -754.972870 where: bonds (distance) C4'-P energy: -148.878 bonds (distance) P-C4' energy: -154.708 flat angles C4'-P-C4' energy: -169.451 flat angles P-C4'-P energy: -97.106 tors. eta vs tors. theta energy: -184.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2283.577118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.577118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.577118 (E_RNA) where: Base-Base interactions energy: -1569.932 where: short stacking energy: -673.920 Base-Backbone interact. energy: 0.359 local terms energy: -714.003469 where: bonds (distance) C4'-P energy: -142.979 bonds (distance) P-C4' energy: -134.397 flat angles C4'-P-C4' energy: -146.131 flat angles P-C4'-P energy: -101.603 tors. eta vs tors. theta energy: -188.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2185.330092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.330092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.330092 (E_RNA) where: Base-Base interactions energy: -1478.862 where: short stacking energy: -639.259 Base-Backbone interact. energy: 0.052 local terms energy: -706.520221 where: bonds (distance) C4'-P energy: -141.138 bonds (distance) P-C4' energy: -150.548 flat angles C4'-P-C4' energy: -148.508 flat angles P-C4'-P energy: -101.299 tors. eta vs tors. theta energy: -165.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2052.049246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.049246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.049246 (E_RNA) where: Base-Base interactions energy: -1352.455 where: short stacking energy: -603.693 Base-Backbone interact. energy: -1.508 local terms energy: -698.086077 where: bonds (distance) C4'-P energy: -143.515 bonds (distance) P-C4' energy: -140.453 flat angles C4'-P-C4' energy: -150.790 flat angles P-C4'-P energy: -94.652 tors. eta vs tors. theta energy: -168.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1832.881080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.881080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.881080 (E_RNA) where: Base-Base interactions energy: -1192.936 where: short stacking energy: -520.890 Base-Backbone interact. energy: -2.590 local terms energy: -637.354996 where: bonds (distance) C4'-P energy: -128.588 bonds (distance) P-C4' energy: -136.347 flat angles C4'-P-C4' energy: -150.926 flat angles P-C4'-P energy: -89.896 tors. eta vs tors. theta energy: -131.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1717.228731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.228731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.228731 (E_RNA) where: Base-Base interactions energy: -1076.477 where: short stacking energy: -492.294 Base-Backbone interact. energy: -3.815 local terms energy: -636.936827 where: bonds (distance) C4'-P energy: -135.546 bonds (distance) P-C4' energy: -142.895 flat angles C4'-P-C4' energy: -147.629 flat angles P-C4'-P energy: -79.275 tors. eta vs tors. theta energy: -131.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1484.730052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.730052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.730052 (E_RNA) where: Base-Base interactions energy: -935.996 where: short stacking energy: -424.567 Base-Backbone interact. energy: 2.007 local terms energy: -550.741047 where: bonds (distance) C4'-P energy: -127.297 bonds (distance) P-C4' energy: -122.204 flat angles C4'-P-C4' energy: -131.580 flat angles P-C4'-P energy: -85.963 tors. eta vs tors. theta energy: -83.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1172.892868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.892868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.892868 (E_RNA) where: Base-Base interactions energy: -672.863 where: short stacking energy: -343.104 Base-Backbone interact. energy: 0.274 local terms energy: -500.304124 where: bonds (distance) C4'-P energy: -118.291 bonds (distance) P-C4' energy: -125.222 flat angles C4'-P-C4' energy: -114.639 flat angles P-C4'-P energy: -72.818 tors. eta vs tors. theta energy: -69.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -979.893305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.893305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.893305 (E_RNA) where: Base-Base interactions energy: -511.000 where: short stacking energy: -288.638 Base-Backbone interact. energy: 3.786 local terms energy: -472.679174 where: bonds (distance) C4'-P energy: -129.113 bonds (distance) P-C4' energy: -123.516 flat angles C4'-P-C4' energy: -121.225 flat angles P-C4'-P energy: -70.116 tors. eta vs tors. theta energy: -28.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -574.334544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.334544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.334544 (E_RNA) where: Base-Base interactions energy: -204.208 where: short stacking energy: -175.318 Base-Backbone interact. energy: 5.460 local terms energy: -375.586459 where: bonds (distance) C4'-P energy: -110.982 bonds (distance) P-C4' energy: -102.197 flat angles C4'-P-C4' energy: -121.159 flat angles P-C4'-P energy: -63.325 tors. eta vs tors. theta energy: 22.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2363.485742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.485742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.485742 (E_RNA) where: Base-Base interactions energy: -1601.010 where: short stacking energy: -687.605 Base-Backbone interact. energy: 0.862 local terms energy: -763.337531 where: bonds (distance) C4'-P energy: -151.221 bonds (distance) P-C4' energy: -149.625 flat angles C4'-P-C4' energy: -165.355 flat angles P-C4'-P energy: -108.305 tors. eta vs tors. theta energy: -188.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2302.552348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.552348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.552348 (E_RNA) where: Base-Base interactions energy: -1557.485 where: short stacking energy: -654.143 Base-Backbone interact. energy: -3.208 local terms energy: -741.860206 where: bonds (distance) C4'-P energy: -141.900 bonds (distance) P-C4' energy: -146.412 flat angles C4'-P-C4' energy: -160.357 flat angles P-C4'-P energy: -107.498 tors. eta vs tors. theta energy: -185.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2155.158358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.158358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.158358 (E_RNA) where: Base-Base interactions energy: -1445.832 where: short stacking energy: -609.936 Base-Backbone interact. energy: 7.550 local terms energy: -716.876332 where: bonds (distance) C4'-P energy: -145.611 bonds (distance) P-C4' energy: -136.146 flat angles C4'-P-C4' energy: -156.120 flat angles P-C4'-P energy: -111.464 tors. eta vs tors. theta energy: -167.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2045.748443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.748443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.748443 (E_RNA) where: Base-Base interactions energy: -1387.567 where: short stacking energy: -617.749 Base-Backbone interact. energy: -2.586 local terms energy: -655.595693 where: bonds (distance) C4'-P energy: -132.102 bonds (distance) P-C4' energy: -131.462 flat angles C4'-P-C4' energy: -148.540 flat angles P-C4'-P energy: -82.601 tors. eta vs tors. theta energy: -160.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1789.734226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.734226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.734226 (E_RNA) where: Base-Base interactions energy: -1139.726 where: short stacking energy: -480.184 Base-Backbone interact. energy: -1.859 local terms energy: -648.148839 where: bonds (distance) C4'-P energy: -134.231 bonds (distance) P-C4' energy: -120.106 flat angles C4'-P-C4' energy: -156.082 flat angles P-C4'-P energy: -115.582 tors. eta vs tors. theta energy: -122.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1723.012696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.012696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.012696 (E_RNA) where: Base-Base interactions energy: -1116.299 where: short stacking energy: -517.743 Base-Backbone interact. energy: 5.042 local terms energy: -611.755600 where: bonds (distance) C4'-P energy: -113.886 bonds (distance) P-C4' energy: -129.893 flat angles C4'-P-C4' energy: -141.761 flat angles P-C4'-P energy: -97.902 tors. eta vs tors. theta energy: -128.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1484.769904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.769904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.769904 (E_RNA) where: Base-Base interactions energy: -932.675 where: short stacking energy: -439.602 Base-Backbone interact. energy: 3.979 local terms energy: -556.073565 where: bonds (distance) C4'-P energy: -117.422 bonds (distance) P-C4' energy: -136.023 flat angles C4'-P-C4' energy: -118.811 flat angles P-C4'-P energy: -79.361 tors. eta vs tors. theta energy: -104.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1190.275791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.275791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.275791 (E_RNA) where: Base-Base interactions energy: -673.445 where: short stacking energy: -345.413 Base-Backbone interact. energy: -0.416 local terms energy: -516.415059 where: bonds (distance) C4'-P energy: -125.819 bonds (distance) P-C4' energy: -129.828 flat angles C4'-P-C4' energy: -128.650 flat angles P-C4'-P energy: -63.226 tors. eta vs tors. theta energy: -68.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -912.023349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.023349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.023349 (E_RNA) where: Base-Base interactions energy: -485.766 where: short stacking energy: -278.030 Base-Backbone interact. energy: -2.844 local terms energy: -423.413221 where: bonds (distance) C4'-P energy: -109.313 bonds (distance) P-C4' energy: -132.084 flat angles C4'-P-C4' energy: -94.161 flat angles P-C4'-P energy: -68.697 tors. eta vs tors. theta energy: -19.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -662.232509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.232509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.232509 (E_RNA) where: Base-Base interactions energy: -256.001 where: short stacking energy: -165.483 Base-Backbone interact. energy: 5.491 local terms energy: -411.722668 where: bonds (distance) C4'-P energy: -131.235 bonds (distance) P-C4' energy: -111.613 flat angles C4'-P-C4' energy: -108.667 flat angles P-C4'-P energy: -78.302 tors. eta vs tors. theta energy: 18.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2348.157459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.157459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.157459 (E_RNA) where: Base-Base interactions energy: -1578.234 where: short stacking energy: -670.848 Base-Backbone interact. energy: -1.322 local terms energy: -769.286840 where: bonds (distance) C4'-P energy: -148.790 bonds (distance) P-C4' energy: -159.095 flat angles C4'-P-C4' energy: -160.024 flat angles P-C4'-P energy: -112.449 tors. eta vs tors. theta energy: -188.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.686 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2311.970471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.970471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.970471 (E_RNA) where: Base-Base interactions energy: -1575.166 where: short stacking energy: -646.363 Base-Backbone interact. energy: -0.200 local terms energy: -736.604822 where: bonds (distance) C4'-P energy: -150.361 bonds (distance) P-C4' energy: -143.928 flat angles C4'-P-C4' energy: -157.214 flat angles P-C4'-P energy: -108.045 tors. eta vs tors. theta energy: -177.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2151.764834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.764834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.764834 (E_RNA) where: Base-Base interactions energy: -1465.370 where: short stacking energy: -626.380 Base-Backbone interact. energy: 2.651 local terms energy: -689.045735 where: bonds (distance) C4'-P energy: -125.884 bonds (distance) P-C4' energy: -148.849 flat angles C4'-P-C4' energy: -161.018 flat angles P-C4'-P energy: -78.248 tors. eta vs tors. theta energy: -175.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2059.676532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.676532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.676532 (E_RNA) where: Base-Base interactions energy: -1415.229 where: short stacking energy: -639.992 Base-Backbone interact. energy: -0.561 local terms energy: -643.886471 where: bonds (distance) C4'-P energy: -115.532 bonds (distance) P-C4' energy: -138.443 flat angles C4'-P-C4' energy: -141.125 flat angles P-C4'-P energy: -77.204 tors. eta vs tors. theta energy: -171.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1806.968101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.968101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.968101 (E_RNA) where: Base-Base interactions energy: -1191.293 where: short stacking energy: -539.445 Base-Backbone interact. energy: 6.542 local terms energy: -622.217423 where: bonds (distance) C4'-P energy: -114.329 bonds (distance) P-C4' energy: -140.435 flat angles C4'-P-C4' energy: -145.099 flat angles P-C4'-P energy: -86.939 tors. eta vs tors. theta energy: -135.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1677.945030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.945030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.945030 (E_RNA) where: Base-Base interactions energy: -1098.442 where: short stacking energy: -487.266 Base-Backbone interact. energy: 2.333 local terms energy: -581.836177 where: bonds (distance) C4'-P energy: -107.252 bonds (distance) P-C4' energy: -115.567 flat angles C4'-P-C4' energy: -143.373 flat angles P-C4'-P energy: -90.644 tors. eta vs tors. theta energy: -125.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1557.109102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.109102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.109102 (E_RNA) where: Base-Base interactions energy: -997.266 where: short stacking energy: -415.047 Base-Backbone interact. energy: -4.257 local terms energy: -555.586126 where: bonds (distance) C4'-P energy: -135.939 bonds (distance) P-C4' energy: -124.460 flat angles C4'-P-C4' energy: -138.176 flat angles P-C4'-P energy: -71.168 tors. eta vs tors. theta energy: -85.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1121.556065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.556065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.556065 (E_RNA) where: Base-Base interactions energy: -601.868 where: short stacking energy: -304.154 Base-Backbone interact. energy: -2.067 local terms energy: -517.621126 where: bonds (distance) C4'-P energy: -142.849 bonds (distance) P-C4' energy: -146.420 flat angles C4'-P-C4' energy: -105.113 flat angles P-C4'-P energy: -82.988 tors. eta vs tors. theta energy: -40.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -899.162998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.162998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.162998 (E_RNA) where: Base-Base interactions energy: -459.474 where: short stacking energy: -243.927 Base-Backbone interact. energy: 0.054 local terms energy: -439.743208 where: bonds (distance) C4'-P energy: -113.321 bonds (distance) P-C4' energy: -137.392 flat angles C4'-P-C4' energy: -107.184 flat angles P-C4'-P energy: -64.245 tors. eta vs tors. theta energy: -17.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -620.868193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.868193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.868193 (E_RNA) where: Base-Base interactions energy: -235.729 where: short stacking energy: -176.479 Base-Backbone interact. energy: 4.344 local terms energy: -389.483896 where: bonds (distance) C4'-P energy: -107.002 bonds (distance) P-C4' energy: -120.180 flat angles C4'-P-C4' energy: -115.383 flat angles P-C4'-P energy: -64.852 tors. eta vs tors. theta energy: 17.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2394.875580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.875580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.875580 (E_RNA) where: Base-Base interactions energy: -1645.074 where: short stacking energy: -706.402 Base-Backbone interact. energy: -2.987 local terms energy: -746.814292 where: bonds (distance) C4'-P energy: -138.077 bonds (distance) P-C4' energy: -143.155 flat angles C4'-P-C4' energy: -153.284 flat angles P-C4'-P energy: -115.957 tors. eta vs tors. theta energy: -196.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2291.320324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.320324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.320324 (E_RNA) where: Base-Base interactions energy: -1574.601 where: short stacking energy: -684.307 Base-Backbone interact. energy: 1.826 local terms energy: -718.545699 where: bonds (distance) C4'-P energy: -145.136 bonds (distance) P-C4' energy: -140.407 flat angles C4'-P-C4' energy: -167.737 flat angles P-C4'-P energy: -93.328 tors. eta vs tors. theta energy: -171.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2144.849725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.849725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.849725 (E_RNA) where: Base-Base interactions energy: -1416.686 where: short stacking energy: -645.619 Base-Backbone interact. energy: 0.195 local terms energy: -728.358390 where: bonds (distance) C4'-P energy: -146.610 bonds (distance) P-C4' energy: -142.174 flat angles C4'-P-C4' energy: -169.412 flat angles P-C4'-P energy: -89.576 tors. eta vs tors. theta energy: -180.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2109.352263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.352263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.352263 (E_RNA) where: Base-Base interactions energy: -1434.052 where: short stacking energy: -619.672 Base-Backbone interact. energy: 0.298 local terms energy: -675.598136 where: bonds (distance) C4'-P energy: -120.500 bonds (distance) P-C4' energy: -146.577 flat angles C4'-P-C4' energy: -159.790 flat angles P-C4'-P energy: -95.468 tors. eta vs tors. theta energy: -153.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1873.816748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.816748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.816748 (E_RNA) where: Base-Base interactions energy: -1265.996 where: short stacking energy: -571.323 Base-Backbone interact. energy: -1.154 local terms energy: -606.666694 where: bonds (distance) C4'-P energy: -130.413 bonds (distance) P-C4' energy: -120.099 flat angles C4'-P-C4' energy: -127.866 flat angles P-C4'-P energy: -76.269 tors. eta vs tors. theta energy: -152.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1692.699653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.699653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.699653 (E_RNA) where: Base-Base interactions energy: -1126.536 where: short stacking energy: -509.950 Base-Backbone interact. energy: 0.420 local terms energy: -566.583660 where: bonds (distance) C4'-P energy: -115.016 bonds (distance) P-C4' energy: -123.395 flat angles C4'-P-C4' energy: -112.028 flat angles P-C4'-P energy: -97.002 tors. eta vs tors. theta energy: -119.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1547.479917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.479917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.479917 (E_RNA) where: Base-Base interactions energy: -959.489 where: short stacking energy: -420.665 Base-Backbone interact. energy: -1.937 local terms energy: -586.054143 where: bonds (distance) C4'-P energy: -126.902 bonds (distance) P-C4' energy: -149.047 flat angles C4'-P-C4' energy: -138.558 flat angles P-C4'-P energy: -68.624 tors. eta vs tors. theta energy: -102.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1148.281544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.281544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.281544 (E_RNA) where: Base-Base interactions energy: -661.675 where: short stacking energy: -329.847 Base-Backbone interact. energy: -2.280 local terms energy: -484.326494 where: bonds (distance) C4'-P energy: -121.628 bonds (distance) P-C4' energy: -125.678 flat angles C4'-P-C4' energy: -118.017 flat angles P-C4'-P energy: -80.371 tors. eta vs tors. theta energy: -38.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -918.338059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.338059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.338059 (E_RNA) where: Base-Base interactions energy: -481.597 where: short stacking energy: -279.867 Base-Backbone interact. energy: 3.816 local terms energy: -440.556953 where: bonds (distance) C4'-P energy: -124.821 bonds (distance) P-C4' energy: -116.874 flat angles C4'-P-C4' energy: -103.512 flat angles P-C4'-P energy: -87.366 tors. eta vs tors. theta energy: -7.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -614.923015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.923015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.923015 (E_RNA) where: Base-Base interactions energy: -205.004 where: short stacking energy: -166.819 Base-Backbone interact. energy: 1.084 local terms energy: -415.545889 where: bonds (distance) C4'-P energy: -95.220 bonds (distance) P-C4' energy: -141.752 flat angles C4'-P-C4' energy: -113.747 flat angles P-C4'-P energy: -67.031 tors. eta vs tors. theta energy: 2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 4.543 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2410.858528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.858528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.858528 (E_RNA) where: Base-Base interactions energy: -1653.568 where: short stacking energy: -735.590 Base-Backbone interact. energy: 0.966 local terms energy: -758.256893 where: bonds (distance) C4'-P energy: -150.021 bonds (distance) P-C4' energy: -136.542 flat angles C4'-P-C4' energy: -165.007 flat angles P-C4'-P energy: -115.463 tors. eta vs tors. theta energy: -191.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2258.346897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.346897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.346897 (E_RNA) where: Base-Base interactions energy: -1522.093 where: short stacking energy: -632.031 Base-Backbone interact. energy: -1.207 local terms energy: -735.047565 where: bonds (distance) C4'-P energy: -154.486 bonds (distance) P-C4' energy: -157.860 flat angles C4'-P-C4' energy: -152.707 flat angles P-C4'-P energy: -101.950 tors. eta vs tors. theta energy: -168.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2147.613070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.613070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.613070 (E_RNA) where: Base-Base interactions energy: -1442.700 where: short stacking energy: -653.465 Base-Backbone interact. energy: 1.473 local terms energy: -706.386555 where: bonds (distance) C4'-P energy: -142.421 bonds (distance) P-C4' energy: -149.094 flat angles C4'-P-C4' energy: -142.989 flat angles P-C4'-P energy: -93.601 tors. eta vs tors. theta energy: -178.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2058.996939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.996939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.996939 (E_RNA) where: Base-Base interactions energy: -1391.776 where: short stacking energy: -603.084 Base-Backbone interact. energy: -2.558 local terms energy: -664.662486 where: bonds (distance) C4'-P energy: -120.117 bonds (distance) P-C4' energy: -142.351 flat angles C4'-P-C4' energy: -143.342 flat angles P-C4'-P energy: -95.139 tors. eta vs tors. theta energy: -163.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1871.948163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.948163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.948163 (E_RNA) where: Base-Base interactions energy: -1233.631 where: short stacking energy: -587.343 Base-Backbone interact. energy: -1.949 local terms energy: -636.368412 where: bonds (distance) C4'-P energy: -139.501 bonds (distance) P-C4' energy: -136.087 flat angles C4'-P-C4' energy: -139.601 flat angles P-C4'-P energy: -72.143 tors. eta vs tors. theta energy: -149.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1760.081025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.081025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.081025 (E_RNA) where: Base-Base interactions energy: -1173.339 where: short stacking energy: -503.012 Base-Backbone interact. energy: 4.753 local terms energy: -591.494978 where: bonds (distance) C4'-P energy: -122.790 bonds (distance) P-C4' energy: -145.575 flat angles C4'-P-C4' energy: -122.223 flat angles P-C4'-P energy: -94.609 tors. eta vs tors. theta energy: -106.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1439.407501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.407501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.407501 (E_RNA) where: Base-Base interactions energy: -887.677 where: short stacking energy: -394.537 Base-Backbone interact. energy: 0.080 local terms energy: -551.811004 where: bonds (distance) C4'-P energy: -133.696 bonds (distance) P-C4' energy: -142.949 flat angles C4'-P-C4' energy: -132.783 flat angles P-C4'-P energy: -65.686 tors. eta vs tors. theta energy: -76.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1140.757894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.757894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.757894 (E_RNA) where: Base-Base interactions energy: -653.202 where: short stacking energy: -335.736 Base-Backbone interact. energy: -1.398 local terms energy: -486.157865 where: bonds (distance) C4'-P energy: -113.844 bonds (distance) P-C4' energy: -125.876 flat angles C4'-P-C4' energy: -113.244 flat angles P-C4'-P energy: -91.938 tors. eta vs tors. theta energy: -41.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -949.846633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.846633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.846633 (E_RNA) where: Base-Base interactions energy: -511.114 where: short stacking energy: -275.624 Base-Backbone interact. energy: -4.928 local terms energy: -435.550672 where: bonds (distance) C4'-P energy: -109.659 bonds (distance) P-C4' energy: -132.298 flat angles C4'-P-C4' energy: -121.174 flat angles P-C4'-P energy: -67.544 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.746 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -552.646602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.646602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.646602 (E_RNA) where: Base-Base interactions energy: -182.419 where: short stacking energy: -139.429 Base-Backbone interact. energy: -0.902 local terms energy: -369.325851 where: bonds (distance) C4'-P energy: -127.552 bonds (distance) P-C4' energy: -139.600 flat angles C4'-P-C4' energy: -79.951 flat angles P-C4'-P energy: -49.598 tors. eta vs tors. theta energy: 27.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2407.027281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.027281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.027281 (E_RNA) where: Base-Base interactions energy: -1628.463 where: short stacking energy: -691.360 Base-Backbone interact. energy: -0.947 local terms energy: -777.617540 where: bonds (distance) C4'-P energy: -157.882 bonds (distance) P-C4' energy: -145.775 flat angles C4'-P-C4' energy: -172.441 flat angles P-C4'-P energy: -111.198 tors. eta vs tors. theta energy: -190.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2274.981565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.981565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.981565 (E_RNA) where: Base-Base interactions energy: -1552.228 where: short stacking energy: -648.866 Base-Backbone interact. energy: 2.384 local terms energy: -725.138227 where: bonds (distance) C4'-P energy: -130.977 bonds (distance) P-C4' energy: -152.173 flat angles C4'-P-C4' energy: -153.848 flat angles P-C4'-P energy: -111.682 tors. eta vs tors. theta energy: -176.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2195.282877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.282877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.282877 (E_RNA) where: Base-Base interactions energy: -1481.064 where: short stacking energy: -652.424 Base-Backbone interact. energy: -3.449 local terms energy: -710.769243 where: bonds (distance) C4'-P energy: -132.918 bonds (distance) P-C4' energy: -154.013 flat angles C4'-P-C4' energy: -149.357 flat angles P-C4'-P energy: -96.146 tors. eta vs tors. theta energy: -178.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2077.272424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.272424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.272424 (E_RNA) where: Base-Base interactions energy: -1367.199 where: short stacking energy: -617.208 Base-Backbone interact. energy: -2.336 local terms energy: -707.738116 where: bonds (distance) C4'-P energy: -131.735 bonds (distance) P-C4' energy: -138.052 flat angles C4'-P-C4' energy: -163.820 flat angles P-C4'-P energy: -115.405 tors. eta vs tors. theta energy: -158.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1857.498613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.498613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.498613 (E_RNA) where: Base-Base interactions energy: -1184.607 where: short stacking energy: -545.620 Base-Backbone interact. energy: 1.230 local terms energy: -674.157325 where: bonds (distance) C4'-P energy: -146.281 bonds (distance) P-C4' energy: -143.807 flat angles C4'-P-C4' energy: -150.803 flat angles P-C4'-P energy: -88.391 tors. eta vs tors. theta energy: -144.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.036 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1763.810407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.810407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.810407 (E_RNA) where: Base-Base interactions energy: -1169.238 where: short stacking energy: -495.302 Base-Backbone interact. energy: 3.480 local terms energy: -598.052473 where: bonds (distance) C4'-P energy: -131.420 bonds (distance) P-C4' energy: -134.955 flat angles C4'-P-C4' energy: -137.025 flat angles P-C4'-P energy: -81.857 tors. eta vs tors. theta energy: -112.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1398.140970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.140970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.140970 (E_RNA) where: Base-Base interactions energy: -867.366 where: short stacking energy: -396.204 Base-Backbone interact. energy: -1.073 local terms energy: -529.702031 where: bonds (distance) C4'-P energy: -114.575 bonds (distance) P-C4' energy: -131.347 flat angles C4'-P-C4' energy: -128.620 flat angles P-C4'-P energy: -72.454 tors. eta vs tors. theta energy: -82.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1194.463656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.463656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.463656 (E_RNA) where: Base-Base interactions energy: -714.704 where: short stacking energy: -373.530 Base-Backbone interact. energy: -2.339 local terms energy: -477.421273 where: bonds (distance) C4'-P energy: -121.801 bonds (distance) P-C4' energy: -115.497 flat angles C4'-P-C4' energy: -106.169 flat angles P-C4'-P energy: -72.978 tors. eta vs tors. theta energy: -60.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -979.524762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.524762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.524762 (E_RNA) where: Base-Base interactions energy: -511.610 where: short stacking energy: -264.441 Base-Backbone interact. energy: 5.320 local terms energy: -473.234754 where: bonds (distance) C4'-P energy: -124.333 bonds (distance) P-C4' energy: -130.227 flat angles C4'-P-C4' energy: -116.134 flat angles P-C4'-P energy: -81.692 tors. eta vs tors. theta energy: -20.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -624.733476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.733476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.733476 (E_RNA) where: Base-Base interactions energy: -266.665 where: short stacking energy: -191.700 Base-Backbone interact. energy: -0.332 local terms energy: -357.736477 where: bonds (distance) C4'-P energy: -119.236 bonds (distance) P-C4' energy: -98.067 flat angles C4'-P-C4' energy: -113.139 flat angles P-C4'-P energy: -61.692 tors. eta vs tors. theta energy: 34.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2430.915058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.915058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.915058 (E_RNA) where: Base-Base interactions energy: -1641.977 where: short stacking energy: -714.111 Base-Backbone interact. energy: -3.118 local terms energy: -785.820094 where: bonds (distance) C4'-P energy: -155.696 bonds (distance) P-C4' energy: -154.418 flat angles C4'-P-C4' energy: -162.293 flat angles P-C4'-P energy: -113.782 tors. eta vs tors. theta energy: -199.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2312.117799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.117799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.117799 (E_RNA) where: Base-Base interactions energy: -1561.110 where: short stacking energy: -695.451 Base-Backbone interact. energy: -2.940 local terms energy: -748.068178 where: bonds (distance) C4'-P energy: -141.853 bonds (distance) P-C4' energy: -155.981 flat angles C4'-P-C4' energy: -168.930 flat angles P-C4'-P energy: -104.062 tors. eta vs tors. theta energy: -177.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2218.160705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.160705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.160705 (E_RNA) where: Base-Base interactions energy: -1451.961 where: short stacking energy: -651.778 Base-Backbone interact. energy: -0.573 local terms energy: -765.626318 where: bonds (distance) C4'-P energy: -156.883 bonds (distance) P-C4' energy: -145.004 flat angles C4'-P-C4' energy: -148.113 flat angles P-C4'-P energy: -108.843 tors. eta vs tors. theta energy: -206.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2052.867180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.867180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.867180 (E_RNA) where: Base-Base interactions energy: -1376.419 where: short stacking energy: -578.729 Base-Backbone interact. energy: -1.147 local terms energy: -675.301689 where: bonds (distance) C4'-P energy: -124.188 bonds (distance) P-C4' energy: -143.288 flat angles C4'-P-C4' energy: -152.307 flat angles P-C4'-P energy: -102.999 tors. eta vs tors. theta energy: -152.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1850.053435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.053435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.053435 (E_RNA) where: Base-Base interactions energy: -1191.249 where: short stacking energy: -533.078 Base-Backbone interact. energy: -4.626 local terms energy: -654.178306 where: bonds (distance) C4'-P energy: -121.851 bonds (distance) P-C4' energy: -145.667 flat angles C4'-P-C4' energy: -149.451 flat angles P-C4'-P energy: -101.805 tors. eta vs tors. theta energy: -135.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1771.614256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.614256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.614256 (E_RNA) where: Base-Base interactions energy: -1196.722 where: short stacking energy: -542.715 Base-Backbone interact. energy: -2.743 local terms energy: -572.149106 where: bonds (distance) C4'-P energy: -124.040 bonds (distance) P-C4' energy: -115.484 flat angles C4'-P-C4' energy: -135.353 flat angles P-C4'-P energy: -77.406 tors. eta vs tors. theta energy: -119.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1377.234468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.234468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.234468 (E_RNA) where: Base-Base interactions energy: -842.580 where: short stacking energy: -382.764 Base-Backbone interact. energy: 7.098 local terms energy: -541.752947 where: bonds (distance) C4'-P energy: -127.082 bonds (distance) P-C4' energy: -126.812 flat angles C4'-P-C4' energy: -135.676 flat angles P-C4'-P energy: -90.384 tors. eta vs tors. theta energy: -61.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1102.451899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.451899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.451899 (E_RNA) where: Base-Base interactions energy: -633.981 where: short stacking energy: -317.532 Base-Backbone interact. energy: -0.706 local terms energy: -467.764313 where: bonds (distance) C4'-P energy: -109.444 bonds (distance) P-C4' energy: -143.034 flat angles C4'-P-C4' energy: -116.886 flat angles P-C4'-P energy: -62.233 tors. eta vs tors. theta energy: -36.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -954.825571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.825571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.825571 (E_RNA) where: Base-Base interactions energy: -508.734 where: short stacking energy: -274.361 Base-Backbone interact. energy: 0.218 local terms energy: -446.309207 where: bonds (distance) C4'-P energy: -111.401 bonds (distance) P-C4' energy: -118.458 flat angles C4'-P-C4' energy: -117.485 flat angles P-C4'-P energy: -69.069 tors. eta vs tors. theta energy: -29.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -670.313027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.313027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.313027 (E_RNA) where: Base-Base interactions energy: -306.154 where: short stacking energy: -197.630 Base-Backbone interact. energy: 0.478 local terms energy: -364.637056 where: bonds (distance) C4'-P energy: -118.548 bonds (distance) P-C4' energy: -105.862 flat angles C4'-P-C4' energy: -96.510 flat angles P-C4'-P energy: -69.224 tors. eta vs tors. theta energy: 25.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2407.383704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.383704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.383704 (E_RNA) where: Base-Base interactions energy: -1649.217 where: short stacking energy: -683.692 Base-Backbone interact. energy: -1.051 local terms energy: -757.116090 where: bonds (distance) C4'-P energy: -157.331 bonds (distance) P-C4' energy: -152.256 flat angles C4'-P-C4' energy: -153.626 flat angles P-C4'-P energy: -98.260 tors. eta vs tors. theta energy: -195.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2294.774318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.774318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.774318 (E_RNA) where: Base-Base interactions energy: -1583.645 where: short stacking energy: -672.641 Base-Backbone interact. energy: 2.254 local terms energy: -713.383582 where: bonds (distance) C4'-P energy: -138.879 bonds (distance) P-C4' energy: -133.716 flat angles C4'-P-C4' energy: -161.051 flat angles P-C4'-P energy: -96.739 tors. eta vs tors. theta energy: -182.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2178.884579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.884579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.884579 (E_RNA) where: Base-Base interactions energy: -1435.150 where: short stacking energy: -637.795 Base-Backbone interact. energy: 0.256 local terms energy: -743.990191 where: bonds (distance) C4'-P energy: -133.606 bonds (distance) P-C4' energy: -142.071 flat angles C4'-P-C4' energy: -164.136 flat angles P-C4'-P energy: -118.545 tors. eta vs tors. theta energy: -185.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2042.067664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.067664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.067664 (E_RNA) where: Base-Base interactions energy: -1349.917 where: short stacking energy: -593.028 Base-Backbone interact. energy: -1.754 local terms energy: -690.395989 where: bonds (distance) C4'-P energy: -123.663 bonds (distance) P-C4' energy: -141.052 flat angles C4'-P-C4' energy: -155.296 flat angles P-C4'-P energy: -98.768 tors. eta vs tors. theta energy: -171.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1879.116711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.116711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.116711 (E_RNA) where: Base-Base interactions energy: -1271.617 where: short stacking energy: -551.140 Base-Backbone interact. energy: -0.508 local terms energy: -606.991258 where: bonds (distance) C4'-P energy: -135.021 bonds (distance) P-C4' energy: -138.320 flat angles C4'-P-C4' energy: -138.553 flat angles P-C4'-P energy: -69.434 tors. eta vs tors. theta energy: -125.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1769.604536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.604536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.604536 (E_RNA) where: Base-Base interactions energy: -1144.870 where: short stacking energy: -512.196 Base-Backbone interact. energy: -1.850 local terms energy: -622.884568 where: bonds (distance) C4'-P energy: -131.512 bonds (distance) P-C4' energy: -136.516 flat angles C4'-P-C4' energy: -149.628 flat angles P-C4'-P energy: -68.029 tors. eta vs tors. theta energy: -137.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1411.337915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.337915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.337915 (E_RNA) where: Base-Base interactions energy: -876.798 where: short stacking energy: -412.098 Base-Backbone interact. energy: 1.043 local terms energy: -535.583316 where: bonds (distance) C4'-P energy: -119.142 bonds (distance) P-C4' energy: -129.749 flat angles C4'-P-C4' energy: -123.298 flat angles P-C4'-P energy: -76.519 tors. eta vs tors. theta energy: -86.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1229.959605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.959605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.959605 (E_RNA) where: Base-Base interactions energy: -718.792 where: short stacking energy: -348.506 Base-Backbone interact. energy: 0.220 local terms energy: -511.387532 where: bonds (distance) C4'-P energy: -127.359 bonds (distance) P-C4' energy: -123.546 flat angles C4'-P-C4' energy: -117.303 flat angles P-C4'-P energy: -80.107 tors. eta vs tors. theta energy: -63.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -988.001902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.001902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.001902 (E_RNA) where: Base-Base interactions energy: -546.642 where: short stacking energy: -274.489 Base-Backbone interact. energy: 1.786 local terms energy: -443.146317 where: bonds (distance) C4'-P energy: -118.519 bonds (distance) P-C4' energy: -130.259 flat angles C4'-P-C4' energy: -109.102 flat angles P-C4'-P energy: -53.534 tors. eta vs tors. theta energy: -31.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -639.321422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.321422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.321422 (E_RNA) where: Base-Base interactions energy: -281.327 where: short stacking energy: -170.558 Base-Backbone interact. energy: 1.575 local terms energy: -359.568863 where: bonds (distance) C4'-P energy: -121.935 bonds (distance) P-C4' energy: -113.757 flat angles C4'-P-C4' energy: -109.292 flat angles P-C4'-P energy: -46.626 tors. eta vs tors. theta energy: 32.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2411.014412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.014412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.014412 (E_RNA) where: Base-Base interactions energy: -1639.914 where: short stacking energy: -684.519 Base-Backbone interact. energy: -3.053 local terms energy: -768.047759 where: bonds (distance) C4'-P energy: -145.631 bonds (distance) P-C4' energy: -158.923 flat angles C4'-P-C4' energy: -161.060 flat angles P-C4'-P energy: -118.820 tors. eta vs tors. theta energy: -183.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2310.898072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.898072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.898072 (E_RNA) where: Base-Base interactions energy: -1565.028 where: short stacking energy: -690.801 Base-Backbone interact. energy: -0.348 local terms energy: -745.522561 where: bonds (distance) C4'-P energy: -152.894 bonds (distance) P-C4' energy: -131.863 flat angles C4'-P-C4' energy: -173.454 flat angles P-C4'-P energy: -98.963 tors. eta vs tors. theta energy: -188.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2209.936728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.936728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.936728 (E_RNA) where: Base-Base interactions energy: -1475.108 where: short stacking energy: -667.343 Base-Backbone interact. energy: -4.407 local terms energy: -730.421526 where: bonds (distance) C4'-P energy: -131.054 bonds (distance) P-C4' energy: -160.001 flat angles C4'-P-C4' energy: -161.775 flat angles P-C4'-P energy: -106.776 tors. eta vs tors. theta energy: -170.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2082.348403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.348403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.348403 (E_RNA) where: Base-Base interactions energy: -1386.846 where: short stacking energy: -612.236 Base-Backbone interact. energy: 4.503 local terms energy: -700.005982 where: bonds (distance) C4'-P energy: -137.463 bonds (distance) P-C4' energy: -141.491 flat angles C4'-P-C4' energy: -152.214 flat angles P-C4'-P energy: -99.059 tors. eta vs tors. theta energy: -169.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1899.667709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.667709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.667709 (E_RNA) where: Base-Base interactions energy: -1251.009 where: short stacking energy: -557.209 Base-Backbone interact. energy: -3.068 local terms energy: -645.590182 where: bonds (distance) C4'-P energy: -141.968 bonds (distance) P-C4' energy: -129.365 flat angles C4'-P-C4' energy: -145.359 flat angles P-C4'-P energy: -82.592 tors. eta vs tors. theta energy: -146.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1785.091690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.091690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.091690 (E_RNA) where: Base-Base interactions energy: -1156.139 where: short stacking energy: -516.017 Base-Backbone interact. energy: -3.792 local terms energy: -625.160973 where: bonds (distance) C4'-P energy: -132.092 bonds (distance) P-C4' energy: -134.875 flat angles C4'-P-C4' energy: -141.017 flat angles P-C4'-P energy: -82.511 tors. eta vs tors. theta energy: -134.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1507.427052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.427052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.427052 (E_RNA) where: Base-Base interactions energy: -946.904 where: short stacking energy: -463.210 Base-Backbone interact. energy: 0.201 local terms energy: -560.724332 where: bonds (distance) C4'-P energy: -145.096 bonds (distance) P-C4' energy: -113.245 flat angles C4'-P-C4' energy: -133.207 flat angles P-C4'-P energy: -72.883 tors. eta vs tors. theta energy: -96.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1204.206093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.206093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.206093 (E_RNA) where: Base-Base interactions energy: -741.010 where: short stacking energy: -363.816 Base-Backbone interact. energy: 0.499 local terms energy: -463.694719 where: bonds (distance) C4'-P energy: -122.700 bonds (distance) P-C4' energy: -109.481 flat angles C4'-P-C4' energy: -122.021 flat angles P-C4'-P energy: -64.257 tors. eta vs tors. theta energy: -45.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -941.059337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.059337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.059337 (E_RNA) where: Base-Base interactions energy: -536.850 where: short stacking energy: -289.516 Base-Backbone interact. energy: 3.372 local terms energy: -407.581125 where: bonds (distance) C4'-P energy: -109.304 bonds (distance) P-C4' energy: -109.820 flat angles C4'-P-C4' energy: -113.670 flat angles P-C4'-P energy: -56.318 tors. eta vs tors. theta energy: -18.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -635.688804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.688804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.688804 (E_RNA) where: Base-Base interactions energy: -277.520 where: short stacking energy: -177.088 Base-Backbone interact. energy: 1.187 local terms energy: -359.355791 where: bonds (distance) C4'-P energy: -102.439 bonds (distance) P-C4' energy: -126.756 flat angles C4'-P-C4' energy: -110.673 flat angles P-C4'-P energy: -53.599 tors. eta vs tors. theta energy: 34.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2388.537238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.537238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.537238 (E_RNA) where: Base-Base interactions energy: -1653.005 where: short stacking energy: -705.791 Base-Backbone interact. energy: -3.825 local terms energy: -731.706956 where: bonds (distance) C4'-P energy: -148.095 bonds (distance) P-C4' energy: -141.273 flat angles C4'-P-C4' energy: -154.836 flat angles P-C4'-P energy: -104.539 tors. eta vs tors. theta energy: -182.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2304.611680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.611680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.611680 (E_RNA) where: Base-Base interactions energy: -1556.756 where: short stacking energy: -666.917 Base-Backbone interact. energy: -2.162 local terms energy: -747.076993 where: bonds (distance) C4'-P energy: -137.388 bonds (distance) P-C4' energy: -158.704 flat angles C4'-P-C4' energy: -150.744 flat angles P-C4'-P energy: -102.006 tors. eta vs tors. theta energy: -198.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.383 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2203.637218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.637218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.637218 (E_RNA) where: Base-Base interactions energy: -1468.758 where: short stacking energy: -669.879 Base-Backbone interact. energy: -1.373 local terms energy: -733.506470 where: bonds (distance) C4'-P energy: -140.799 bonds (distance) P-C4' energy: -140.058 flat angles C4'-P-C4' energy: -168.138 flat angles P-C4'-P energy: -101.169 tors. eta vs tors. theta energy: -183.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2042.748550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.748550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.748550 (E_RNA) where: Base-Base interactions energy: -1353.638 where: short stacking energy: -610.023 Base-Backbone interact. energy: -0.308 local terms energy: -688.802376 where: bonds (distance) C4'-P energy: -140.864 bonds (distance) P-C4' energy: -142.508 flat angles C4'-P-C4' energy: -145.549 flat angles P-C4'-P energy: -94.673 tors. eta vs tors. theta energy: -165.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1916.537365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.537365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.537365 (E_RNA) where: Base-Base interactions energy: -1273.095 where: short stacking energy: -560.958 Base-Backbone interact. energy: 2.211 local terms energy: -645.652849 where: bonds (distance) C4'-P energy: -108.945 bonds (distance) P-C4' energy: -127.112 flat angles C4'-P-C4' energy: -142.813 flat angles P-C4'-P energy: -101.227 tors. eta vs tors. theta energy: -165.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1812.337105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.337105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.337105 (E_RNA) where: Base-Base interactions energy: -1189.131 where: short stacking energy: -547.093 Base-Backbone interact. energy: -1.942 local terms energy: -621.264552 where: bonds (distance) C4'-P energy: -130.045 bonds (distance) P-C4' energy: -134.865 flat angles C4'-P-C4' energy: -132.246 flat angles P-C4'-P energy: -81.380 tors. eta vs tors. theta energy: -142.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1542.467266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.467266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.467266 (E_RNA) where: Base-Base interactions energy: -986.181 where: short stacking energy: -451.576 Base-Backbone interact. energy: 0.256 local terms energy: -556.543007 where: bonds (distance) C4'-P energy: -124.597 bonds (distance) P-C4' energy: -105.882 flat angles C4'-P-C4' energy: -139.736 flat angles P-C4'-P energy: -92.476 tors. eta vs tors. theta energy: -93.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1160.474267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.474267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.474267 (E_RNA) where: Base-Base interactions energy: -681.972 where: short stacking energy: -349.139 Base-Backbone interact. energy: 3.366 local terms energy: -481.867885 where: bonds (distance) C4'-P energy: -100.336 bonds (distance) P-C4' energy: -125.956 flat angles C4'-P-C4' energy: -126.924 flat angles P-C4'-P energy: -78.700 tors. eta vs tors. theta energy: -49.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1001.334683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.334683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.334683 (E_RNA) where: Base-Base interactions energy: -544.944 where: short stacking energy: -291.653 Base-Backbone interact. energy: 2.169 local terms energy: -458.559634 where: bonds (distance) C4'-P energy: -108.407 bonds (distance) P-C4' energy: -132.021 flat angles C4'-P-C4' energy: -116.311 flat angles P-C4'-P energy: -53.442 tors. eta vs tors. theta energy: -48.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -686.059938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.059938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.059938 (E_RNA) where: Base-Base interactions energy: -338.910 where: short stacking energy: -201.561 Base-Backbone interact. energy: -2.566 local terms energy: -344.584491 where: bonds (distance) C4'-P energy: -101.868 bonds (distance) P-C4' energy: -115.063 flat angles C4'-P-C4' energy: -108.169 flat angles P-C4'-P energy: -37.153 tors. eta vs tors. theta energy: 17.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2405.218268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.218268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.218268 (E_RNA) where: Base-Base interactions energy: -1624.480 where: short stacking energy: -700.972 Base-Backbone interact. energy: -1.635 local terms energy: -779.102899 where: bonds (distance) C4'-P energy: -148.787 bonds (distance) P-C4' energy: -147.441 flat angles C4'-P-C4' energy: -170.125 flat angles P-C4'-P energy: -117.341 tors. eta vs tors. theta energy: -195.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2317.875719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.875719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.875719 (E_RNA) where: Base-Base interactions energy: -1570.768 where: short stacking energy: -686.097 Base-Backbone interact. energy: -2.094 local terms energy: -745.013821 where: bonds (distance) C4'-P energy: -139.264 bonds (distance) P-C4' energy: -156.721 flat angles C4'-P-C4' energy: -166.937 flat angles P-C4'-P energy: -93.700 tors. eta vs tors. theta energy: -188.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2169.334969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.334969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.334969 (E_RNA) where: Base-Base interactions energy: -1430.679 where: short stacking energy: -623.618 Base-Backbone interact. energy: -2.949 local terms energy: -735.707177 where: bonds (distance) C4'-P energy: -136.178 bonds (distance) P-C4' energy: -153.210 flat angles C4'-P-C4' energy: -167.629 flat angles P-C4'-P energy: -104.649 tors. eta vs tors. theta energy: -174.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2084.564807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.564807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.564807 (E_RNA) where: Base-Base interactions energy: -1368.727 where: short stacking energy: -627.367 Base-Backbone interact. energy: -2.939 local terms energy: -712.898003 where: bonds (distance) C4'-P energy: -144.918 bonds (distance) P-C4' energy: -145.432 flat angles C4'-P-C4' energy: -157.518 flat angles P-C4'-P energy: -95.447 tors. eta vs tors. theta energy: -169.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1972.989640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.989640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.989640 (E_RNA) where: Base-Base interactions energy: -1328.081 where: short stacking energy: -577.599 Base-Backbone interact. energy: 3.189 local terms energy: -648.097877 where: bonds (distance) C4'-P energy: -124.811 bonds (distance) P-C4' energy: -137.151 flat angles C4'-P-C4' energy: -155.328 flat angles P-C4'-P energy: -92.236 tors. eta vs tors. theta energy: -138.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1818.672603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.672603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.672603 (E_RNA) where: Base-Base interactions energy: -1217.488 where: short stacking energy: -546.717 Base-Backbone interact. energy: -0.495 local terms energy: -600.689441 where: bonds (distance) C4'-P energy: -115.574 bonds (distance) P-C4' energy: -147.919 flat angles C4'-P-C4' energy: -136.441 flat angles P-C4'-P energy: -73.942 tors. eta vs tors. theta energy: -126.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1544.213611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.213611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.213611 (E_RNA) where: Base-Base interactions energy: -1003.595 where: short stacking energy: -474.238 Base-Backbone interact. energy: 1.208 local terms energy: -541.826444 where: bonds (distance) C4'-P energy: -116.156 bonds (distance) P-C4' energy: -127.955 flat angles C4'-P-C4' energy: -127.705 flat angles P-C4'-P energy: -80.358 tors. eta vs tors. theta energy: -89.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1175.167189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.167189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.167189 (E_RNA) where: Base-Base interactions energy: -684.415 where: short stacking energy: -338.644 Base-Backbone interact. energy: 0.999 local terms energy: -491.751431 where: bonds (distance) C4'-P energy: -130.204 bonds (distance) P-C4' energy: -124.029 flat angles C4'-P-C4' energy: -121.924 flat angles P-C4'-P energy: -77.586 tors. eta vs tors. theta energy: -38.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -948.476577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.476577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.476577 (E_RNA) where: Base-Base interactions energy: -518.548 where: short stacking energy: -266.363 Base-Backbone interact. energy: -2.672 local terms energy: -427.256290 where: bonds (distance) C4'-P energy: -121.884 bonds (distance) P-C4' energy: -119.021 flat angles C4'-P-C4' energy: -103.698 flat angles P-C4'-P energy: -62.718 tors. eta vs tors. theta energy: -19.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -677.499046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.499046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.499046 (E_RNA) where: Base-Base interactions energy: -273.488 where: short stacking energy: -168.074 Base-Backbone interact. energy: -0.464 local terms energy: -403.547057 where: bonds (distance) C4'-P energy: -105.141 bonds (distance) P-C4' energy: -129.357 flat angles C4'-P-C4' energy: -106.078 flat angles P-C4'-P energy: -66.007 tors. eta vs tors. theta energy: 3.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2406.828220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.828220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.828220 (E_RNA) where: Base-Base interactions energy: -1626.495 where: short stacking energy: -683.583 Base-Backbone interact. energy: -0.092 local terms energy: -780.241346 where: bonds (distance) C4'-P energy: -151.672 bonds (distance) P-C4' energy: -152.033 flat angles C4'-P-C4' energy: -168.076 flat angles P-C4'-P energy: -116.301 tors. eta vs tors. theta energy: -192.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2306.620761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.620761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.620761 (E_RNA) where: Base-Base interactions energy: -1558.063 where: short stacking energy: -668.658 Base-Backbone interact. energy: 1.909 local terms energy: -750.466514 where: bonds (distance) C4'-P energy: -154.909 bonds (distance) P-C4' energy: -143.403 flat angles C4'-P-C4' energy: -163.332 flat angles P-C4'-P energy: -101.818 tors. eta vs tors. theta energy: -187.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2147.083625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.083625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.083625 (E_RNA) where: Base-Base interactions energy: -1455.739 where: short stacking energy: -625.821 Base-Backbone interact. energy: 0.913 local terms energy: -692.257518 where: bonds (distance) C4'-P energy: -153.614 bonds (distance) P-C4' energy: -132.412 flat angles C4'-P-C4' energy: -142.998 flat angles P-C4'-P energy: -99.415 tors. eta vs tors. theta energy: -163.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2098.121667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.121667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.121667 (E_RNA) where: Base-Base interactions energy: -1395.394 where: short stacking energy: -596.640 Base-Backbone interact. energy: -5.615 local terms energy: -697.113228 where: bonds (distance) C4'-P energy: -127.533 bonds (distance) P-C4' energy: -149.594 flat angles C4'-P-C4' energy: -157.480 flat angles P-C4'-P energy: -94.920 tors. eta vs tors. theta energy: -167.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1882.408572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.408572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.408572 (E_RNA) where: Base-Base interactions energy: -1241.254 where: short stacking energy: -581.477 Base-Backbone interact. energy: 1.274 local terms energy: -642.428872 where: bonds (distance) C4'-P energy: -129.478 bonds (distance) P-C4' energy: -145.768 flat angles C4'-P-C4' energy: -143.847 flat angles P-C4'-P energy: -88.407 tors. eta vs tors. theta energy: -134.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1887.657706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.657706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.657706 (E_RNA) where: Base-Base interactions energy: -1277.223 where: short stacking energy: -535.472 Base-Backbone interact. energy: 1.811 local terms energy: -612.245821 where: bonds (distance) C4'-P energy: -117.252 bonds (distance) P-C4' energy: -121.028 flat angles C4'-P-C4' energy: -138.574 flat angles P-C4'-P energy: -83.265 tors. eta vs tors. theta energy: -152.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1537.060582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.060582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.060582 (E_RNA) where: Base-Base interactions energy: -976.828 where: short stacking energy: -425.325 Base-Backbone interact. energy: 0.683 local terms energy: -560.915403 where: bonds (distance) C4'-P energy: -129.344 bonds (distance) P-C4' energy: -135.108 flat angles C4'-P-C4' energy: -133.504 flat angles P-C4'-P energy: -75.023 tors. eta vs tors. theta energy: -87.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1194.074709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.074709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.074709 (E_RNA) where: Base-Base interactions energy: -698.516 where: short stacking energy: -369.381 Base-Backbone interact. energy: 1.238 local terms energy: -496.796682 where: bonds (distance) C4'-P energy: -124.596 bonds (distance) P-C4' energy: -145.052 flat angles C4'-P-C4' energy: -119.012 flat angles P-C4'-P energy: -51.175 tors. eta vs tors. theta energy: -56.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -950.734135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.734135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.734135 (E_RNA) where: Base-Base interactions energy: -535.328 where: short stacking energy: -311.515 Base-Backbone interact. energy: 4.820 local terms energy: -420.225969 where: bonds (distance) C4'-P energy: -106.981 bonds (distance) P-C4' energy: -104.327 flat angles C4'-P-C4' energy: -109.304 flat angles P-C4'-P energy: -56.915 tors. eta vs tors. theta energy: -42.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -659.822597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.822597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.822597 (E_RNA) where: Base-Base interactions energy: -293.439 where: short stacking energy: -175.738 Base-Backbone interact. energy: 6.189 local terms energy: -372.572954 where: bonds (distance) C4'-P energy: -115.325 bonds (distance) P-C4' energy: -121.786 flat angles C4'-P-C4' energy: -115.429 flat angles P-C4'-P energy: -49.926 tors. eta vs tors. theta energy: 29.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2401.799707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.799707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.799707 (E_RNA) where: Base-Base interactions energy: -1618.534 where: short stacking energy: -719.026 Base-Backbone interact. energy: -3.018 local terms energy: -780.247540 where: bonds (distance) C4'-P energy: -148.217 bonds (distance) P-C4' energy: -166.167 flat angles C4'-P-C4' energy: -166.743 flat angles P-C4'-P energy: -111.111 tors. eta vs tors. theta energy: -188.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2268.799007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.799007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.799007 (E_RNA) where: Base-Base interactions energy: -1517.596 where: short stacking energy: -659.174 Base-Backbone interact. energy: 0.725 local terms energy: -752.220911 where: bonds (distance) C4'-P energy: -152.565 bonds (distance) P-C4' energy: -140.660 flat angles C4'-P-C4' energy: -166.039 flat angles P-C4'-P energy: -114.817 tors. eta vs tors. theta energy: -178.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.293 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2212.987454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.987454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.987454 (E_RNA) where: Base-Base interactions energy: -1509.849 where: short stacking energy: -656.298 Base-Backbone interact. energy: -0.335 local terms energy: -702.803512 where: bonds (distance) C4'-P energy: -151.380 bonds (distance) P-C4' energy: -124.352 flat angles C4'-P-C4' energy: -161.418 flat angles P-C4'-P energy: -86.439 tors. eta vs tors. theta energy: -179.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2114.726426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.726426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.726426 (E_RNA) where: Base-Base interactions energy: -1420.506 where: short stacking energy: -618.247 Base-Backbone interact. energy: -0.884 local terms energy: -693.335826 where: bonds (distance) C4'-P energy: -155.326 bonds (distance) P-C4' energy: -130.448 flat angles C4'-P-C4' energy: -147.020 flat angles P-C4'-P energy: -90.546 tors. eta vs tors. theta energy: -169.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1928.541340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.541340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.541340 (E_RNA) where: Base-Base interactions energy: -1289.462 where: short stacking energy: -578.945 Base-Backbone interact. energy: 1.330 local terms energy: -640.409372 where: bonds (distance) C4'-P energy: -127.657 bonds (distance) P-C4' energy: -140.466 flat angles C4'-P-C4' energy: -143.188 flat angles P-C4'-P energy: -87.028 tors. eta vs tors. theta energy: -142.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1845.751978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.751978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.751978 (E_RNA) where: Base-Base interactions energy: -1275.762 where: short stacking energy: -510.242 Base-Backbone interact. energy: -2.189 local terms energy: -567.801655 where: bonds (distance) C4'-P energy: -134.736 bonds (distance) P-C4' energy: -122.012 flat angles C4'-P-C4' energy: -132.701 flat angles P-C4'-P energy: -70.014 tors. eta vs tors. theta energy: -108.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1499.334725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.334725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.334725 (E_RNA) where: Base-Base interactions energy: -966.248 where: short stacking energy: -422.223 Base-Backbone interact. energy: 1.266 local terms energy: -534.352527 where: bonds (distance) C4'-P energy: -105.367 bonds (distance) P-C4' energy: -138.316 flat angles C4'-P-C4' energy: -123.503 flat angles P-C4'-P energy: -80.944 tors. eta vs tors. theta energy: -86.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1172.819096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.819096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.819096 (E_RNA) where: Base-Base interactions energy: -696.452 where: short stacking energy: -328.626 Base-Backbone interact. energy: 11.088 local terms energy: -487.454305 where: bonds (distance) C4'-P energy: -102.922 bonds (distance) P-C4' energy: -130.311 flat angles C4'-P-C4' energy: -138.459 flat angles P-C4'-P energy: -78.039 tors. eta vs tors. theta energy: -37.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -967.038740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.038740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.038740 (E_RNA) where: Base-Base interactions energy: -503.064 where: short stacking energy: -275.334 Base-Backbone interact. energy: -2.518 local terms energy: -461.456908 where: bonds (distance) C4'-P energy: -108.662 bonds (distance) P-C4' energy: -132.812 flat angles C4'-P-C4' energy: -120.317 flat angles P-C4'-P energy: -67.200 tors. eta vs tors. theta energy: -32.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -737.089843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.089843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.089843 (E_RNA) where: Base-Base interactions energy: -346.775 where: short stacking energy: -197.977 Base-Backbone interact. energy: 2.216 local terms energy: -392.530129 where: bonds (distance) C4'-P energy: -119.313 bonds (distance) P-C4' energy: -117.450 flat angles C4'-P-C4' energy: -117.171 flat angles P-C4'-P energy: -59.125 tors. eta vs tors. theta energy: 20.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2415.785740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.785740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.785740 (E_RNA) where: Base-Base interactions energy: -1625.189 where: short stacking energy: -709.048 Base-Backbone interact. energy: -1.316 local terms energy: -789.280816 where: bonds (distance) C4'-P energy: -159.831 bonds (distance) P-C4' energy: -152.492 flat angles C4'-P-C4' energy: -162.808 flat angles P-C4'-P energy: -122.583 tors. eta vs tors. theta energy: -191.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2299.231642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.231642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.231642 (E_RNA) where: Base-Base interactions energy: -1558.027 where: short stacking energy: -659.784 Base-Backbone interact. energy: 0.860 local terms energy: -742.507840 where: bonds (distance) C4'-P energy: -148.225 bonds (distance) P-C4' energy: -148.985 flat angles C4'-P-C4' energy: -170.231 flat angles P-C4'-P energy: -102.036 tors. eta vs tors. theta energy: -173.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.443 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2188.312497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.312497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.312497 (E_RNA) where: Base-Base interactions energy: -1462.494 where: short stacking energy: -657.329 Base-Backbone interact. energy: -2.577 local terms energy: -723.241638 where: bonds (distance) C4'-P energy: -129.594 bonds (distance) P-C4' energy: -147.078 flat angles C4'-P-C4' energy: -165.964 flat angles P-C4'-P energy: -100.035 tors. eta vs tors. theta energy: -180.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2096.975862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.975862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.975862 (E_RNA) where: Base-Base interactions energy: -1399.624 where: short stacking energy: -594.854 Base-Backbone interact. energy: -0.690 local terms energy: -696.662187 where: bonds (distance) C4'-P energy: -131.868 bonds (distance) P-C4' energy: -152.176 flat angles C4'-P-C4' energy: -162.981 flat angles P-C4'-P energy: -88.488 tors. eta vs tors. theta energy: -161.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1941.198576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.198576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.198576 (E_RNA) where: Base-Base interactions energy: -1282.592 where: short stacking energy: -588.300 Base-Backbone interact. energy: -2.678 local terms energy: -655.928325 where: bonds (distance) C4'-P energy: -134.676 bonds (distance) P-C4' energy: -127.475 flat angles C4'-P-C4' energy: -136.871 flat angles P-C4'-P energy: -108.145 tors. eta vs tors. theta energy: -148.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1837.656962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.656962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.656962 (E_RNA) where: Base-Base interactions energy: -1246.723 where: short stacking energy: -520.844 Base-Backbone interact. energy: -1.416 local terms energy: -589.518322 where: bonds (distance) C4'-P energy: -124.033 bonds (distance) P-C4' energy: -137.123 flat angles C4'-P-C4' energy: -121.636 flat angles P-C4'-P energy: -100.115 tors. eta vs tors. theta energy: -106.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1483.135547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.135547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.135547 (E_RNA) where: Base-Base interactions energy: -939.673 where: short stacking energy: -436.423 Base-Backbone interact. energy: -1.470 local terms energy: -541.992092 where: bonds (distance) C4'-P energy: -135.889 bonds (distance) P-C4' energy: -138.558 flat angles C4'-P-C4' energy: -135.141 flat angles P-C4'-P energy: -60.893 tors. eta vs tors. theta energy: -71.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1130.765036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.765036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.765036 (E_RNA) where: Base-Base interactions energy: -648.855 where: short stacking energy: -348.266 Base-Backbone interact. energy: -0.637 local terms energy: -481.272469 where: bonds (distance) C4'-P energy: -133.943 bonds (distance) P-C4' energy: -114.727 flat angles C4'-P-C4' energy: -122.150 flat angles P-C4'-P energy: -65.648 tors. eta vs tors. theta energy: -44.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -924.294230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.294230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.294230 (E_RNA) where: Base-Base interactions energy: -480.973 where: short stacking energy: -240.398 Base-Backbone interact. energy: -2.312 local terms energy: -441.009788 where: bonds (distance) C4'-P energy: -115.025 bonds (distance) P-C4' energy: -126.242 flat angles C4'-P-C4' energy: -96.179 flat angles P-C4'-P energy: -76.045 tors. eta vs tors. theta energy: -27.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -662.845325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.845325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.845325 (E_RNA) where: Base-Base interactions energy: -276.786 where: short stacking energy: -180.246 Base-Backbone interact. energy: 1.654 local terms energy: -387.713638 where: bonds (distance) C4'-P energy: -111.367 bonds (distance) P-C4' energy: -133.686 flat angles C4'-P-C4' energy: -114.358 flat angles P-C4'-P energy: -43.232 tors. eta vs tors. theta energy: 14.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2380.544179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.544179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.544179 (E_RNA) where: Base-Base interactions energy: -1622.015 where: short stacking energy: -708.983 Base-Backbone interact. energy: -2.366 local terms energy: -756.162875 where: bonds (distance) C4'-P energy: -146.111 bonds (distance) P-C4' energy: -148.305 flat angles C4'-P-C4' energy: -164.078 flat angles P-C4'-P energy: -114.724 tors. eta vs tors. theta energy: -182.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2328.958426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.958426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.958426 (E_RNA) where: Base-Base interactions energy: -1554.724 where: short stacking energy: -682.892 Base-Backbone interact. energy: -2.396 local terms energy: -771.839171 where: bonds (distance) C4'-P energy: -143.466 bonds (distance) P-C4' energy: -160.747 flat angles C4'-P-C4' energy: -167.068 flat angles P-C4'-P energy: -103.955 tors. eta vs tors. theta energy: -196.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2185.498836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.498836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.498836 (E_RNA) where: Base-Base interactions energy: -1447.370 where: short stacking energy: -629.264 Base-Backbone interact. energy: -3.765 local terms energy: -734.363576 where: bonds (distance) C4'-P energy: -148.194 bonds (distance) P-C4' energy: -155.469 flat angles C4'-P-C4' energy: -158.025 flat angles P-C4'-P energy: -103.120 tors. eta vs tors. theta energy: -169.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2114.359611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.359611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.359611 (E_RNA) where: Base-Base interactions energy: -1410.399 where: short stacking energy: -608.076 Base-Backbone interact. energy: 2.150 local terms energy: -706.110358 where: bonds (distance) C4'-P energy: -138.595 bonds (distance) P-C4' energy: -165.675 flat angles C4'-P-C4' energy: -136.464 flat angles P-C4'-P energy: -96.457 tors. eta vs tors. theta energy: -168.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1954.166602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.166602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.166602 (E_RNA) where: Base-Base interactions energy: -1297.715 where: short stacking energy: -567.281 Base-Backbone interact. energy: -2.739 local terms energy: -653.711848 where: bonds (distance) C4'-P energy: -122.360 bonds (distance) P-C4' energy: -142.456 flat angles C4'-P-C4' energy: -149.178 flat angles P-C4'-P energy: -89.093 tors. eta vs tors. theta energy: -150.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1813.975497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.975497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.975497 (E_RNA) where: Base-Base interactions energy: -1225.167 where: short stacking energy: -487.589 Base-Backbone interact. energy: 2.051 local terms energy: -590.859624 where: bonds (distance) C4'-P energy: -127.533 bonds (distance) P-C4' energy: -125.777 flat angles C4'-P-C4' energy: -142.128 flat angles P-C4'-P energy: -88.316 tors. eta vs tors. theta energy: -107.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1474.336935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.336935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.336935 (E_RNA) where: Base-Base interactions energy: -923.769 where: short stacking energy: -438.973 Base-Backbone interact. energy: -3.060 local terms energy: -547.508498 where: bonds (distance) C4'-P energy: -132.820 bonds (distance) P-C4' energy: -136.966 flat angles C4'-P-C4' energy: -113.003 flat angles P-C4'-P energy: -79.692 tors. eta vs tors. theta energy: -85.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1154.265234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.265234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.265234 (E_RNA) where: Base-Base interactions energy: -675.587 where: short stacking energy: -362.288 Base-Backbone interact. energy: -0.746 local terms energy: -477.932359 where: bonds (distance) C4'-P energy: -123.849 bonds (distance) P-C4' energy: -135.464 flat angles C4'-P-C4' energy: -102.705 flat angles P-C4'-P energy: -50.019 tors. eta vs tors. theta energy: -65.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -923.113673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.113673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.113673 (E_RNA) where: Base-Base interactions energy: -459.859 where: short stacking energy: -277.233 Base-Backbone interact. energy: -2.747 local terms energy: -460.507545 where: bonds (distance) C4'-P energy: -113.859 bonds (distance) P-C4' energy: -128.613 flat angles C4'-P-C4' energy: -116.790 flat angles P-C4'-P energy: -65.937 tors. eta vs tors. theta energy: -35.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -728.924061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.924061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.924061 (E_RNA) where: Base-Base interactions energy: -327.928 where: short stacking energy: -206.899 Base-Backbone interact. energy: -5.036 local terms energy: -395.959263 where: bonds (distance) C4'-P energy: -113.042 bonds (distance) P-C4' energy: -122.747 flat angles C4'-P-C4' energy: -101.916 flat angles P-C4'-P energy: -44.577 tors. eta vs tors. theta energy: -13.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2375.427499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.427499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.427499 (E_RNA) where: Base-Base interactions energy: -1570.757 where: short stacking energy: -725.627 Base-Backbone interact. energy: 4.193 local terms energy: -808.862851 where: bonds (distance) C4'-P energy: -163.096 bonds (distance) P-C4' energy: -156.666 flat angles C4'-P-C4' energy: -166.815 flat angles P-C4'-P energy: -122.259 tors. eta vs tors. theta energy: -200.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2293.984199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.984199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.984199 (E_RNA) where: Base-Base interactions energy: -1526.770 where: short stacking energy: -654.161 Base-Backbone interact. energy: -1.816 local terms energy: -765.398242 where: bonds (distance) C4'-P energy: -146.484 bonds (distance) P-C4' energy: -155.663 flat angles C4'-P-C4' energy: -153.723 flat angles P-C4'-P energy: -118.202 tors. eta vs tors. theta energy: -191.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2171.154406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.154406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.154406 (E_RNA) where: Base-Base interactions energy: -1452.114 where: short stacking energy: -629.542 Base-Backbone interact. energy: -2.558 local terms energy: -716.482366 where: bonds (distance) C4'-P energy: -142.495 bonds (distance) P-C4' energy: -150.247 flat angles C4'-P-C4' energy: -146.705 flat angles P-C4'-P energy: -111.486 tors. eta vs tors. theta energy: -165.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2107.125619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.125619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.125619 (E_RNA) where: Base-Base interactions energy: -1438.425 where: short stacking energy: -622.455 Base-Backbone interact. energy: -2.369 local terms energy: -666.331874 where: bonds (distance) C4'-P energy: -125.953 bonds (distance) P-C4' energy: -132.575 flat angles C4'-P-C4' energy: -150.710 flat angles P-C4'-P energy: -85.603 tors. eta vs tors. theta energy: -171.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1936.999017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.999017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.999017 (E_RNA) where: Base-Base interactions energy: -1277.986 where: short stacking energy: -560.812 Base-Backbone interact. energy: 1.146 local terms energy: -660.158578 where: bonds (distance) C4'-P energy: -120.647 bonds (distance) P-C4' energy: -156.731 flat angles C4'-P-C4' energy: -143.936 flat angles P-C4'-P energy: -103.273 tors. eta vs tors. theta energy: -135.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1834.376256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.376256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.376256 (E_RNA) where: Base-Base interactions energy: -1210.028 where: short stacking energy: -518.353 Base-Backbone interact. energy: -0.013 local terms energy: -624.335663 where: bonds (distance) C4'-P energy: -124.100 bonds (distance) P-C4' energy: -142.712 flat angles C4'-P-C4' energy: -156.021 flat angles P-C4'-P energy: -81.870 tors. eta vs tors. theta energy: -119.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1515.433169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.433169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.433169 (E_RNA) where: Base-Base interactions energy: -984.176 where: short stacking energy: -443.150 Base-Backbone interact. energy: 7.283 local terms energy: -538.540852 where: bonds (distance) C4'-P energy: -121.739 bonds (distance) P-C4' energy: -125.015 flat angles C4'-P-C4' energy: -124.396 flat angles P-C4'-P energy: -84.723 tors. eta vs tors. theta energy: -82.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1227.418521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.418521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.418521 (E_RNA) where: Base-Base interactions energy: -726.590 where: short stacking energy: -348.800 Base-Backbone interact. energy: 2.050 local terms energy: -502.878558 where: bonds (distance) C4'-P energy: -126.203 bonds (distance) P-C4' energy: -127.040 flat angles C4'-P-C4' energy: -112.053 flat angles P-C4'-P energy: -70.882 tors. eta vs tors. theta energy: -66.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -856.241573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.241573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.241573 (E_RNA) where: Base-Base interactions energy: -391.038 where: short stacking energy: -228.033 Base-Backbone interact. energy: 2.460 local terms energy: -467.663740 where: bonds (distance) C4'-P energy: -128.105 bonds (distance) P-C4' energy: -123.540 flat angles C4'-P-C4' energy: -109.368 flat angles P-C4'-P energy: -70.304 tors. eta vs tors. theta energy: -36.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -729.095259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.095259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.095259 (E_RNA) where: Base-Base interactions energy: -332.689 where: short stacking energy: -191.413 Base-Backbone interact. energy: 2.292 local terms energy: -398.698429 where: bonds (distance) C4'-P energy: -103.043 bonds (distance) P-C4' energy: -121.626 flat angles C4'-P-C4' energy: -97.189 flat angles P-C4'-P energy: -94.810 tors. eta vs tors. theta energy: 17.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2379.997835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.997835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.997835 (E_RNA) where: Base-Base interactions energy: -1621.550 where: short stacking energy: -714.788 Base-Backbone interact. energy: -2.237 local terms energy: -756.210927 where: bonds (distance) C4'-P energy: -150.469 bonds (distance) P-C4' energy: -144.084 flat angles C4'-P-C4' energy: -156.166 flat angles P-C4'-P energy: -105.982 tors. eta vs tors. theta energy: -199.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2313.237692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.237692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.237692 (E_RNA) where: Base-Base interactions energy: -1573.994 where: short stacking energy: -655.675 Base-Backbone interact. energy: -4.886 local terms energy: -734.358071 where: bonds (distance) C4'-P energy: -148.986 bonds (distance) P-C4' energy: -146.560 flat angles C4'-P-C4' energy: -152.636 flat angles P-C4'-P energy: -104.839 tors. eta vs tors. theta energy: -181.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2182.672734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.672734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.672734 (E_RNA) where: Base-Base interactions energy: -1453.237 where: short stacking energy: -644.809 Base-Backbone interact. energy: -3.749 local terms energy: -725.686767 where: bonds (distance) C4'-P energy: -134.027 bonds (distance) P-C4' energy: -143.765 flat angles C4'-P-C4' energy: -155.245 flat angles P-C4'-P energy: -115.949 tors. eta vs tors. theta energy: -176.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2095.361019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.361019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.361019 (E_RNA) where: Base-Base interactions energy: -1409.501 where: short stacking energy: -608.632 Base-Backbone interact. energy: -4.346 local terms energy: -681.513962 where: bonds (distance) C4'-P energy: -126.997 bonds (distance) P-C4' energy: -151.049 flat angles C4'-P-C4' energy: -145.466 flat angles P-C4'-P energy: -89.903 tors. eta vs tors. theta energy: -168.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1935.039870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.039870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.039870 (E_RNA) where: Base-Base interactions energy: -1319.738 where: short stacking energy: -569.900 Base-Backbone interact. energy: -1.073 local terms energy: -614.228797 where: bonds (distance) C4'-P energy: -107.497 bonds (distance) P-C4' energy: -122.267 flat angles C4'-P-C4' energy: -144.252 flat angles P-C4'-P energy: -95.802 tors. eta vs tors. theta energy: -144.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1776.464751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.464751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.464751 (E_RNA) where: Base-Base interactions energy: -1154.246 where: short stacking energy: -493.402 Base-Backbone interact. energy: -0.175 local terms energy: -622.044338 where: bonds (distance) C4'-P energy: -141.630 bonds (distance) P-C4' energy: -132.345 flat angles C4'-P-C4' energy: -132.416 flat angles P-C4'-P energy: -90.391 tors. eta vs tors. theta energy: -125.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1580.029464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.029464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.029464 (E_RNA) where: Base-Base interactions energy: -1007.464 where: short stacking energy: -448.664 Base-Backbone interact. energy: -3.517 local terms energy: -569.048588 where: bonds (distance) C4'-P energy: -110.325 bonds (distance) P-C4' energy: -128.568 flat angles C4'-P-C4' energy: -146.067 flat angles P-C4'-P energy: -84.245 tors. eta vs tors. theta energy: -99.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1193.344749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.344749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.344749 (E_RNA) where: Base-Base interactions energy: -683.917 where: short stacking energy: -345.684 Base-Backbone interact. energy: -1.341 local terms energy: -508.086794 where: bonds (distance) C4'-P energy: -129.143 bonds (distance) P-C4' energy: -136.160 flat angles C4'-P-C4' energy: -129.630 flat angles P-C4'-P energy: -66.202 tors. eta vs tors. theta energy: -46.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -915.354498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.354498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.354498 (E_RNA) where: Base-Base interactions energy: -481.345 where: short stacking energy: -275.641 Base-Backbone interact. energy: -1.244 local terms energy: -432.765979 where: bonds (distance) C4'-P energy: -102.522 bonds (distance) P-C4' energy: -125.492 flat angles C4'-P-C4' energy: -109.420 flat angles P-C4'-P energy: -64.053 tors. eta vs tors. theta energy: -31.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -699.027768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.027768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.027768 (E_RNA) where: Base-Base interactions energy: -316.479 where: short stacking energy: -211.868 Base-Backbone interact. energy: 1.016 local terms energy: -383.565574 where: bonds (distance) C4'-P energy: -97.144 bonds (distance) P-C4' energy: -125.850 flat angles C4'-P-C4' energy: -93.646 flat angles P-C4'-P energy: -70.728 tors. eta vs tors. theta energy: 3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2369.406680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.406680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.406680 (E_RNA) where: Base-Base interactions energy: -1586.221 where: short stacking energy: -712.845 Base-Backbone interact. energy: -2.531 local terms energy: -781.291987 where: bonds (distance) C4'-P energy: -146.479 bonds (distance) P-C4' energy: -149.007 flat angles C4'-P-C4' energy: -167.821 flat angles P-C4'-P energy: -117.517 tors. eta vs tors. theta energy: -200.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.637 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2339.353635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.353635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.353635 (E_RNA) where: Base-Base interactions energy: -1618.081 where: short stacking energy: -688.020 Base-Backbone interact. energy: 2.041 local terms energy: -723.314028 where: bonds (distance) C4'-P energy: -143.946 bonds (distance) P-C4' energy: -143.468 flat angles C4'-P-C4' energy: -146.828 flat angles P-C4'-P energy: -108.392 tors. eta vs tors. theta energy: -180.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2153.422649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.422649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.422649 (E_RNA) where: Base-Base interactions energy: -1440.089 where: short stacking energy: -621.086 Base-Backbone interact. energy: -1.737 local terms energy: -711.596232 where: bonds (distance) C4'-P energy: -136.287 bonds (distance) P-C4' energy: -147.401 flat angles C4'-P-C4' energy: -159.358 flat angles P-C4'-P energy: -113.323 tors. eta vs tors. theta energy: -155.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2117.250486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.250486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.250486 (E_RNA) where: Base-Base interactions energy: -1413.801 where: short stacking energy: -615.848 Base-Backbone interact. energy: 0.681 local terms energy: -704.130339 where: bonds (distance) C4'-P energy: -134.405 bonds (distance) P-C4' energy: -147.965 flat angles C4'-P-C4' energy: -143.737 flat angles P-C4'-P energy: -117.295 tors. eta vs tors. theta energy: -160.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1939.242216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.242216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.242216 (E_RNA) where: Base-Base interactions energy: -1294.031 where: short stacking energy: -573.777 Base-Backbone interact. energy: -2.101 local terms energy: -643.109819 where: bonds (distance) C4'-P energy: -139.637 bonds (distance) P-C4' energy: -107.180 flat angles C4'-P-C4' energy: -144.622 flat angles P-C4'-P energy: -104.097 tors. eta vs tors. theta energy: -147.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1849.857652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.857652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.857652 (E_RNA) where: Base-Base interactions energy: -1239.006 where: short stacking energy: -522.485 Base-Backbone interact. energy: 0.442 local terms energy: -611.293303 where: bonds (distance) C4'-P energy: -131.275 bonds (distance) P-C4' energy: -129.862 flat angles C4'-P-C4' energy: -128.087 flat angles P-C4'-P energy: -91.667 tors. eta vs tors. theta energy: -130.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1646.219552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.219552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.219552 (E_RNA) where: Base-Base interactions energy: -1049.337 where: short stacking energy: -451.753 Base-Backbone interact. energy: -0.172 local terms energy: -596.710519 where: bonds (distance) C4'-P energy: -124.160 bonds (distance) P-C4' energy: -133.605 flat angles C4'-P-C4' energy: -144.730 flat angles P-C4'-P energy: -90.551 tors. eta vs tors. theta energy: -103.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1248.475308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.475308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.475308 (E_RNA) where: Base-Base interactions energy: -736.233 where: short stacking energy: -364.725 Base-Backbone interact. energy: -3.053 local terms energy: -509.189919 where: bonds (distance) C4'-P energy: -125.269 bonds (distance) P-C4' energy: -116.906 flat angles C4'-P-C4' energy: -116.397 flat angles P-C4'-P energy: -77.716 tors. eta vs tors. theta energy: -72.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -877.852388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.852388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.852388 (E_RNA) where: Base-Base interactions energy: -450.979 where: short stacking energy: -234.357 Base-Backbone interact. energy: 0.276 local terms energy: -427.149351 where: bonds (distance) C4'-P energy: -115.036 bonds (distance) P-C4' energy: -133.339 flat angles C4'-P-C4' energy: -118.643 flat angles P-C4'-P energy: -50.058 tors. eta vs tors. theta energy: -10.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -755.241926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.241926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.241926 (E_RNA) where: Base-Base interactions energy: -347.390 where: short stacking energy: -246.835 Base-Backbone interact. energy: 4.423 local terms energy: -412.275016 where: bonds (distance) C4'-P energy: -122.389 bonds (distance) P-C4' energy: -117.193 flat angles C4'-P-C4' energy: -97.110 flat angles P-C4'-P energy: -60.662 tors. eta vs tors. theta energy: -14.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2421.200837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.200837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.200837 (E_RNA) where: Base-Base interactions energy: -1640.451 where: short stacking energy: -740.061 Base-Backbone interact. energy: -0.815 local terms energy: -779.934943 where: bonds (distance) C4'-P energy: -142.381 bonds (distance) P-C4' energy: -147.846 flat angles C4'-P-C4' energy: -169.348 flat angles P-C4'-P energy: -120.741 tors. eta vs tors. theta energy: -199.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2326.024320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.024320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.024320 (E_RNA) where: Base-Base interactions energy: -1595.531 where: short stacking energy: -650.656 Base-Backbone interact. energy: -2.961 local terms energy: -727.532887 where: bonds (distance) C4'-P energy: -150.243 bonds (distance) P-C4' energy: -135.890 flat angles C4'-P-C4' energy: -160.018 flat angles P-C4'-P energy: -106.136 tors. eta vs tors. theta energy: -175.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2153.522941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.522941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.522941 (E_RNA) where: Base-Base interactions energy: -1477.779 where: short stacking energy: -623.416 Base-Backbone interact. energy: -0.183 local terms energy: -675.561505 where: bonds (distance) C4'-P energy: -131.150 bonds (distance) P-C4' energy: -143.737 flat angles C4'-P-C4' energy: -160.665 flat angles P-C4'-P energy: -89.829 tors. eta vs tors. theta energy: -150.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2164.307554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.307554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.307554 (E_RNA) where: Base-Base interactions energy: -1449.829 where: short stacking energy: -635.137 Base-Backbone interact. energy: -0.959 local terms energy: -713.520370 where: bonds (distance) C4'-P energy: -132.387 bonds (distance) P-C4' energy: -148.745 flat angles C4'-P-C4' energy: -144.674 flat angles P-C4'-P energy: -96.656 tors. eta vs tors. theta energy: -191.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1896.611356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.611356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.611356 (E_RNA) where: Base-Base interactions energy: -1248.211 where: short stacking energy: -564.279 Base-Backbone interact. energy: -3.110 local terms energy: -645.290308 where: bonds (distance) C4'-P energy: -116.650 bonds (distance) P-C4' energy: -139.015 flat angles C4'-P-C4' energy: -144.449 flat angles P-C4'-P energy: -89.234 tors. eta vs tors. theta energy: -155.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1825.564566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.564566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.564566 (E_RNA) where: Base-Base interactions energy: -1243.353 where: short stacking energy: -536.449 Base-Backbone interact. energy: 1.540 local terms energy: -583.752260 where: bonds (distance) C4'-P energy: -106.016 bonds (distance) P-C4' energy: -118.319 flat angles C4'-P-C4' energy: -139.920 flat angles P-C4'-P energy: -102.046 tors. eta vs tors. theta energy: -117.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1624.736972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.736972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.736972 (E_RNA) where: Base-Base interactions energy: -1113.886 where: short stacking energy: -498.123 Base-Backbone interact. energy: -2.805 local terms energy: -508.045724 where: bonds (distance) C4'-P energy: -99.783 bonds (distance) P-C4' energy: -125.581 flat angles C4'-P-C4' energy: -129.910 flat angles P-C4'-P energy: -46.984 tors. eta vs tors. theta energy: -105.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1240.170658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.170658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.170658 (E_RNA) where: Base-Base interactions energy: -737.034 where: short stacking energy: -356.248 Base-Backbone interact. energy: -0.374 local terms energy: -502.762796 where: bonds (distance) C4'-P energy: -125.522 bonds (distance) P-C4' energy: -138.778 flat angles C4'-P-C4' energy: -105.820 flat angles P-C4'-P energy: -81.529 tors. eta vs tors. theta energy: -51.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -873.864434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.864434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.864434 (E_RNA) where: Base-Base interactions energy: -435.183 where: short stacking energy: -232.097 Base-Backbone interact. energy: 2.919 local terms energy: -441.599606 where: bonds (distance) C4'-P energy: -124.737 bonds (distance) P-C4' energy: -146.645 flat angles C4'-P-C4' energy: -109.115 flat angles P-C4'-P energy: -45.715 tors. eta vs tors. theta energy: -15.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -641.319385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.319385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.319385 (E_RNA) where: Base-Base interactions energy: -265.391 where: short stacking energy: -166.494 Base-Backbone interact. energy: 0.863 local terms energy: -376.791053 where: bonds (distance) C4'-P energy: -125.046 bonds (distance) P-C4' energy: -117.821 flat angles C4'-P-C4' energy: -98.980 flat angles P-C4'-P energy: -54.408 tors. eta vs tors. theta energy: 19.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2361.123985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.123985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.123985 (E_RNA) where: Base-Base interactions energy: -1597.668 where: short stacking energy: -714.604 Base-Backbone interact. energy: 2.377 local terms energy: -765.837526 where: bonds (distance) C4'-P energy: -146.451 bonds (distance) P-C4' energy: -152.332 flat angles C4'-P-C4' energy: -160.789 flat angles P-C4'-P energy: -117.466 tors. eta vs tors. theta energy: -188.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.004 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2358.211380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.211380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.211380 (E_RNA) where: Base-Base interactions energy: -1638.693 where: short stacking energy: -672.752 Base-Backbone interact. energy: -2.455 local terms energy: -717.063158 where: bonds (distance) C4'-P energy: -151.055 bonds (distance) P-C4' energy: -135.731 flat angles C4'-P-C4' energy: -144.227 flat angles P-C4'-P energy: -106.295 tors. eta vs tors. theta energy: -179.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2279.549272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.549272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.549272 (E_RNA) where: Base-Base interactions energy: -1526.204 where: short stacking energy: -686.853 Base-Backbone interact. energy: -0.524 local terms energy: -752.821247 where: bonds (distance) C4'-P energy: -137.928 bonds (distance) P-C4' energy: -157.789 flat angles C4'-P-C4' energy: -150.742 flat angles P-C4'-P energy: -95.472 tors. eta vs tors. theta energy: -210.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2069.811363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.811363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.811363 (E_RNA) where: Base-Base interactions energy: -1356.173 where: short stacking energy: -592.953 Base-Backbone interact. energy: -0.273 local terms energy: -713.365822 where: bonds (distance) C4'-P energy: -130.067 bonds (distance) P-C4' energy: -138.978 flat angles C4'-P-C4' energy: -167.871 flat angles P-C4'-P energy: -109.938 tors. eta vs tors. theta energy: -166.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1982.144615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.144615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.144615 (E_RNA) where: Base-Base interactions energy: -1351.137 where: short stacking energy: -585.005 Base-Backbone interact. energy: 1.387 local terms energy: -632.394327 where: bonds (distance) C4'-P energy: -118.818 bonds (distance) P-C4' energy: -148.374 flat angles C4'-P-C4' energy: -144.544 flat angles P-C4'-P energy: -91.538 tors. eta vs tors. theta energy: -129.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1839.468245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.468245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.468245 (E_RNA) where: Base-Base interactions energy: -1209.687 where: short stacking energy: -535.183 Base-Backbone interact. energy: -3.176 local terms energy: -626.605049 where: bonds (distance) C4'-P energy: -125.249 bonds (distance) P-C4' energy: -139.586 flat angles C4'-P-C4' energy: -152.180 flat angles P-C4'-P energy: -89.502 tors. eta vs tors. theta energy: -120.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1623.499958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.499958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.499958 (E_RNA) where: Base-Base interactions energy: -1081.780 where: short stacking energy: -502.698 Base-Backbone interact. energy: -2.071 local terms energy: -539.649591 where: bonds (distance) C4'-P energy: -99.871 bonds (distance) P-C4' energy: -130.445 flat angles C4'-P-C4' energy: -113.152 flat angles P-C4'-P energy: -81.574 tors. eta vs tors. theta energy: -114.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1127.520961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.520961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.520961 (E_RNA) where: Base-Base interactions energy: -634.565 where: short stacking energy: -325.846 Base-Backbone interact. energy: -3.838 local terms energy: -489.117803 where: bonds (distance) C4'-P energy: -106.964 bonds (distance) P-C4' energy: -125.491 flat angles C4'-P-C4' energy: -134.791 flat angles P-C4'-P energy: -81.625 tors. eta vs tors. theta energy: -40.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -910.614886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.614886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.614886 (E_RNA) where: Base-Base interactions energy: -473.537 where: short stacking energy: -264.947 Base-Backbone interact. energy: 0.240 local terms energy: -437.317736 where: bonds (distance) C4'-P energy: -108.127 bonds (distance) P-C4' energy: -112.340 flat angles C4'-P-C4' energy: -106.892 flat angles P-C4'-P energy: -72.648 tors. eta vs tors. theta energy: -37.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -660.733586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.733586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.733586 (E_RNA) where: Base-Base interactions energy: -296.220 where: short stacking energy: -191.868 Base-Backbone interact. energy: 0.346 local terms energy: -364.859941 where: bonds (distance) C4'-P energy: -113.085 bonds (distance) P-C4' energy: -124.131 flat angles C4'-P-C4' energy: -90.630 flat angles P-C4'-P energy: -53.877 tors. eta vs tors. theta energy: 16.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2378.281422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.281422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.281422 (E_RNA) where: Base-Base interactions energy: -1607.542 where: short stacking energy: -714.333 Base-Backbone interact. energy: 3.565 local terms energy: -774.304297 where: bonds (distance) C4'-P energy: -150.859 bonds (distance) P-C4' energy: -142.863 flat angles C4'-P-C4' energy: -179.186 flat angles P-C4'-P energy: -90.758 tors. eta vs tors. theta energy: -210.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2336.381197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.381197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.381197 (E_RNA) where: Base-Base interactions energy: -1624.084 where: short stacking energy: -669.052 Base-Backbone interact. energy: -2.478 local terms energy: -709.818785 where: bonds (distance) C4'-P energy: -149.019 bonds (distance) P-C4' energy: -140.522 flat angles C4'-P-C4' energy: -155.287 flat angles P-C4'-P energy: -82.998 tors. eta vs tors. theta energy: -181.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2236.768030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.768030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.768030 (E_RNA) where: Base-Base interactions energy: -1493.431 where: short stacking energy: -678.106 Base-Backbone interact. energy: -2.220 local terms energy: -741.117009 where: bonds (distance) C4'-P energy: -142.911 bonds (distance) P-C4' energy: -138.954 flat angles C4'-P-C4' energy: -165.388 flat angles P-C4'-P energy: -97.639 tors. eta vs tors. theta energy: -196.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2036.858211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.858211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.858211 (E_RNA) where: Base-Base interactions energy: -1376.984 where: short stacking energy: -607.106 Base-Backbone interact. energy: -0.302 local terms energy: -659.572135 where: bonds (distance) C4'-P energy: -129.471 bonds (distance) P-C4' energy: -135.429 flat angles C4'-P-C4' energy: -147.125 flat angles P-C4'-P energy: -87.812 tors. eta vs tors. theta energy: -159.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1978.464900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.464900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.464900 (E_RNA) where: Base-Base interactions energy: -1326.997 where: short stacking energy: -578.184 Base-Backbone interact. energy: -0.757 local terms energy: -650.710211 where: bonds (distance) C4'-P energy: -125.443 bonds (distance) P-C4' energy: -134.128 flat angles C4'-P-C4' energy: -161.565 flat angles P-C4'-P energy: -86.402 tors. eta vs tors. theta energy: -143.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1835.587146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.587146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.587146 (E_RNA) where: Base-Base interactions energy: -1230.079 where: short stacking energy: -510.888 Base-Backbone interact. energy: -0.238 local terms energy: -605.270413 where: bonds (distance) C4'-P energy: -127.116 bonds (distance) P-C4' energy: -141.386 flat angles C4'-P-C4' energy: -122.901 flat angles P-C4'-P energy: -82.229 tors. eta vs tors. theta energy: -131.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1575.024450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.024450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.024450 (E_RNA) where: Base-Base interactions energy: -1031.747 where: short stacking energy: -449.120 Base-Backbone interact. energy: 0.409 local terms energy: -543.687259 where: bonds (distance) C4'-P energy: -129.169 bonds (distance) P-C4' energy: -131.319 flat angles C4'-P-C4' energy: -118.389 flat angles P-C4'-P energy: -80.518 tors. eta vs tors. theta energy: -84.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1138.736203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.736203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.736203 (E_RNA) where: Base-Base interactions energy: -640.975 where: short stacking energy: -323.671 Base-Backbone interact. energy: 1.652 local terms energy: -499.413217 where: bonds (distance) C4'-P energy: -118.406 bonds (distance) P-C4' energy: -124.646 flat angles C4'-P-C4' energy: -128.534 flat angles P-C4'-P energy: -75.230 tors. eta vs tors. theta energy: -52.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1014.379530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.379530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.379530 (E_RNA) where: Base-Base interactions energy: -540.803 where: short stacking energy: -293.127 Base-Backbone interact. energy: -0.719 local terms energy: -472.857446 where: bonds (distance) C4'-P energy: -125.238 bonds (distance) P-C4' energy: -132.872 flat angles C4'-P-C4' energy: -132.704 flat angles P-C4'-P energy: -47.546 tors. eta vs tors. theta energy: -34.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -722.186557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.186557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.186557 (E_RNA) where: Base-Base interactions energy: -293.569 where: short stacking energy: -192.038 Base-Backbone interact. energy: -1.526 local terms energy: -427.092000 where: bonds (distance) C4'-P energy: -125.567 bonds (distance) P-C4' energy: -133.602 flat angles C4'-P-C4' energy: -113.758 flat angles P-C4'-P energy: -59.367 tors. eta vs tors. theta energy: 5.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2403.263535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.263535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.263535 (E_RNA) where: Base-Base interactions energy: -1603.034 where: short stacking energy: -706.650 Base-Backbone interact. energy: -2.211 local terms energy: -798.018189 where: bonds (distance) C4'-P energy: -144.608 bonds (distance) P-C4' energy: -170.852 flat angles C4'-P-C4' energy: -171.476 flat angles P-C4'-P energy: -113.518 tors. eta vs tors. theta energy: -197.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2318.431506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.431506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.431506 (E_RNA) where: Base-Base interactions energy: -1591.661 where: short stacking energy: -664.734 Base-Backbone interact. energy: -4.632 local terms energy: -722.138210 where: bonds (distance) C4'-P energy: -134.550 bonds (distance) P-C4' energy: -145.907 flat angles C4'-P-C4' energy: -173.385 flat angles P-C4'-P energy: -92.233 tors. eta vs tors. theta energy: -176.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2202.277896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.277896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.277896 (E_RNA) where: Base-Base interactions energy: -1511.239 where: short stacking energy: -648.384 Base-Backbone interact. energy: -1.959 local terms energy: -689.079209 where: bonds (distance) C4'-P energy: -124.754 bonds (distance) P-C4' energy: -139.571 flat angles C4'-P-C4' energy: -155.053 flat angles P-C4'-P energy: -101.788 tors. eta vs tors. theta energy: -167.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2054.899413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.899413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.899413 (E_RNA) where: Base-Base interactions energy: -1389.455 where: short stacking energy: -613.557 Base-Backbone interact. energy: -5.646 local terms energy: -659.799000 where: bonds (distance) C4'-P energy: -125.080 bonds (distance) P-C4' energy: -137.038 flat angles C4'-P-C4' energy: -158.229 flat angles P-C4'-P energy: -78.975 tors. eta vs tors. theta energy: -160.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1956.823025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.823025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.823025 (E_RNA) where: Base-Base interactions energy: -1292.466 where: short stacking energy: -566.488 Base-Backbone interact. energy: -6.553 local terms energy: -657.804268 where: bonds (distance) C4'-P energy: -126.643 bonds (distance) P-C4' energy: -131.151 flat angles C4'-P-C4' energy: -147.422 flat angles P-C4'-P energy: -101.596 tors. eta vs tors. theta energy: -150.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1832.079006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.079006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.079006 (E_RNA) where: Base-Base interactions energy: -1232.873 where: short stacking energy: -532.146 Base-Backbone interact. energy: 1.603 local terms energy: -600.808541 where: bonds (distance) C4'-P energy: -119.812 bonds (distance) P-C4' energy: -130.707 flat angles C4'-P-C4' energy: -138.722 flat angles P-C4'-P energy: -93.932 tors. eta vs tors. theta energy: -117.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1720.917911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.917911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.917911 (E_RNA) where: Base-Base interactions energy: -1148.561 where: short stacking energy: -513.855 Base-Backbone interact. energy: 0.682 local terms energy: -573.038933 where: bonds (distance) C4'-P energy: -125.310 bonds (distance) P-C4' energy: -121.185 flat angles C4'-P-C4' energy: -134.247 flat angles P-C4'-P energy: -70.222 tors. eta vs tors. theta energy: -122.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1193.520268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.520268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.520268 (E_RNA) where: Base-Base interactions energy: -705.511 where: short stacking energy: -355.897 Base-Backbone interact. energy: -1.091 local terms energy: -486.918772 where: bonds (distance) C4'-P energy: -129.907 bonds (distance) P-C4' energy: -111.989 flat angles C4'-P-C4' energy: -109.982 flat angles P-C4'-P energy: -92.823 tors. eta vs tors. theta energy: -42.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -970.336435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.336435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.336435 (E_RNA) where: Base-Base interactions energy: -527.368 where: short stacking energy: -282.123 Base-Backbone interact. energy: 4.458 local terms energy: -447.426661 where: bonds (distance) C4'-P energy: -94.973 bonds (distance) P-C4' energy: -140.642 flat angles C4'-P-C4' energy: -121.728 flat angles P-C4'-P energy: -67.284 tors. eta vs tors. theta energy: -22.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -685.521077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.521077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.521077 (E_RNA) where: Base-Base interactions energy: -274.681 where: short stacking energy: -195.219 Base-Backbone interact. energy: 5.256 local terms energy: -416.096660 where: bonds (distance) C4'-P energy: -104.102 bonds (distance) P-C4' energy: -141.218 flat angles C4'-P-C4' energy: -104.673 flat angles P-C4'-P energy: -80.259 tors. eta vs tors. theta energy: 14.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2381.636236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.636236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.636236 (E_RNA) where: Base-Base interactions energy: -1635.713 where: short stacking energy: -713.576 Base-Backbone interact. energy: 2.352 local terms energy: -748.275553 where: bonds (distance) C4'-P energy: -118.767 bonds (distance) P-C4' energy: -165.234 flat angles C4'-P-C4' energy: -163.783 flat angles P-C4'-P energy: -114.347 tors. eta vs tors. theta energy: -186.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2320.068173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.068173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.068173 (E_RNA) where: Base-Base interactions energy: -1570.274 where: short stacking energy: -646.147 Base-Backbone interact. energy: -3.508 local terms energy: -746.285941 where: bonds (distance) C4'-P energy: -142.197 bonds (distance) P-C4' energy: -149.953 flat angles C4'-P-C4' energy: -156.780 flat angles P-C4'-P energy: -113.183 tors. eta vs tors. theta energy: -184.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2173.833578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.833578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.833578 (E_RNA) where: Base-Base interactions energy: -1471.349 where: short stacking energy: -628.508 Base-Backbone interact. energy: -0.027 local terms energy: -702.458110 where: bonds (distance) C4'-P energy: -140.743 bonds (distance) P-C4' energy: -145.316 flat angles C4'-P-C4' energy: -139.859 flat angles P-C4'-P energy: -99.673 tors. eta vs tors. theta energy: -176.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2004.461993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.461993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.461993 (E_RNA) where: Base-Base interactions energy: -1324.715 where: short stacking energy: -574.975 Base-Backbone interact. energy: 0.916 local terms energy: -680.663269 where: bonds (distance) C4'-P energy: -137.359 bonds (distance) P-C4' energy: -139.930 flat angles C4'-P-C4' energy: -154.094 flat angles P-C4'-P energy: -101.352 tors. eta vs tors. theta energy: -147.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2012.605733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.605733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.605733 (E_RNA) where: Base-Base interactions energy: -1337.731 where: short stacking energy: -579.476 Base-Backbone interact. energy: -5.791 local terms energy: -669.084413 where: bonds (distance) C4'-P energy: -132.920 bonds (distance) P-C4' energy: -147.061 flat angles C4'-P-C4' energy: -152.441 flat angles P-C4'-P energy: -89.483 tors. eta vs tors. theta energy: -147.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1821.599031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.599031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.599031 (E_RNA) where: Base-Base interactions energy: -1212.450 where: short stacking energy: -526.717 Base-Backbone interact. energy: 8.699 local terms energy: -617.847993 where: bonds (distance) C4'-P energy: -129.860 bonds (distance) P-C4' energy: -127.374 flat angles C4'-P-C4' energy: -142.398 flat angles P-C4'-P energy: -86.778 tors. eta vs tors. theta energy: -131.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1694.338947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.338947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.338947 (E_RNA) where: Base-Base interactions energy: -1089.884 where: short stacking energy: -471.779 Base-Backbone interact. energy: -2.584 local terms energy: -601.870716 where: bonds (distance) C4'-P energy: -117.603 bonds (distance) P-C4' energy: -144.401 flat angles C4'-P-C4' energy: -146.868 flat angles P-C4'-P energy: -90.894 tors. eta vs tors. theta energy: -102.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1177.384791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.384791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.384791 (E_RNA) where: Base-Base interactions energy: -694.495 where: short stacking energy: -322.535 Base-Backbone interact. energy: -2.191 local terms energy: -480.699017 where: bonds (distance) C4'-P energy: -133.337 bonds (distance) P-C4' energy: -126.028 flat angles C4'-P-C4' energy: -120.619 flat angles P-C4'-P energy: -56.812 tors. eta vs tors. theta energy: -43.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -903.545266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.545266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.545266 (E_RNA) where: Base-Base interactions energy: -460.753 where: short stacking energy: -250.663 Base-Backbone interact. energy: -2.410 local terms energy: -440.381856 where: bonds (distance) C4'-P energy: -133.305 bonds (distance) P-C4' energy: -101.657 flat angles C4'-P-C4' energy: -124.405 flat angles P-C4'-P energy: -49.707 tors. eta vs tors. theta energy: -31.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -792.002134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.002134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.002134 (E_RNA) where: Base-Base interactions energy: -390.611 where: short stacking energy: -199.573 Base-Backbone interact. energy: -0.297 local terms energy: -401.093979 where: bonds (distance) C4'-P energy: -114.269 bonds (distance) P-C4' energy: -108.630 flat angles C4'-P-C4' energy: -120.708 flat angles P-C4'-P energy: -67.874 tors. eta vs tors. theta energy: 10.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2387.985782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.985782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.985782 (E_RNA) where: Base-Base interactions energy: -1616.660 where: short stacking energy: -712.870 Base-Backbone interact. energy: 3.027 local terms energy: -774.353306 where: bonds (distance) C4'-P energy: -156.047 bonds (distance) P-C4' energy: -140.077 flat angles C4'-P-C4' energy: -174.613 flat angles P-C4'-P energy: -121.485 tors. eta vs tors. theta energy: -182.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2368.878216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.878216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.878216 (E_RNA) where: Base-Base interactions energy: -1609.122 where: short stacking energy: -693.726 Base-Backbone interact. energy: 0.681 local terms energy: -760.437433 where: bonds (distance) C4'-P energy: -151.391 bonds (distance) P-C4' energy: -157.760 flat angles C4'-P-C4' energy: -157.113 flat angles P-C4'-P energy: -111.269 tors. eta vs tors. theta energy: -182.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2231.204882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.204882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.204882 (E_RNA) where: Base-Base interactions energy: -1489.302 where: short stacking energy: -667.620 Base-Backbone interact. energy: -2.932 local terms energy: -738.970261 where: bonds (distance) C4'-P energy: -141.309 bonds (distance) P-C4' energy: -147.969 flat angles C4'-P-C4' energy: -152.132 flat angles P-C4'-P energy: -108.403 tors. eta vs tors. theta energy: -189.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2034.247637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.247637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.247637 (E_RNA) where: Base-Base interactions energy: -1355.303 where: short stacking energy: -591.298 Base-Backbone interact. energy: -2.779 local terms energy: -676.166047 where: bonds (distance) C4'-P energy: -140.267 bonds (distance) P-C4' energy: -157.137 flat angles C4'-P-C4' energy: -144.276 flat angles P-C4'-P energy: -87.791 tors. eta vs tors. theta energy: -146.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1934.891658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.891658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.891658 (E_RNA) where: Base-Base interactions energy: -1282.610 where: short stacking energy: -544.999 Base-Backbone interact. energy: 2.388 local terms energy: -654.669901 where: bonds (distance) C4'-P energy: -141.649 bonds (distance) P-C4' energy: -136.869 flat angles C4'-P-C4' energy: -150.071 flat angles P-C4'-P energy: -102.608 tors. eta vs tors. theta energy: -123.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1844.738233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.738233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.738233 (E_RNA) where: Base-Base interactions energy: -1232.679 where: short stacking energy: -538.076 Base-Backbone interact. energy: -0.641 local terms energy: -611.418674 where: bonds (distance) C4'-P energy: -119.879 bonds (distance) P-C4' energy: -132.856 flat angles C4'-P-C4' energy: -131.222 flat angles P-C4'-P energy: -84.485 tors. eta vs tors. theta energy: -142.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1668.220164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.220164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.220164 (E_RNA) where: Base-Base interactions energy: -1067.508 where: short stacking energy: -482.703 Base-Backbone interact. energy: -2.781 local terms energy: -597.932036 where: bonds (distance) C4'-P energy: -140.956 bonds (distance) P-C4' energy: -114.068 flat angles C4'-P-C4' energy: -135.519 flat angles P-C4'-P energy: -95.216 tors. eta vs tors. theta energy: -112.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1193.241512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.241512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.241512 (E_RNA) where: Base-Base interactions energy: -688.731 where: short stacking energy: -322.477 Base-Backbone interact. energy: 0.055 local terms energy: -504.565608 where: bonds (distance) C4'-P energy: -125.342 bonds (distance) P-C4' energy: -134.050 flat angles C4'-P-C4' energy: -120.488 flat angles P-C4'-P energy: -70.806 tors. eta vs tors. theta energy: -53.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -892.148644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.148644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.148644 (E_RNA) where: Base-Base interactions energy: -442.567 where: short stacking energy: -257.485 Base-Backbone interact. energy: 1.259 local terms energy: -450.840528 where: bonds (distance) C4'-P energy: -109.992 bonds (distance) P-C4' energy: -115.451 flat angles C4'-P-C4' energy: -124.222 flat angles P-C4'-P energy: -80.338 tors. eta vs tors. theta energy: -20.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -758.746399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.746399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.746399 (E_RNA) where: Base-Base interactions energy: -383.433 where: short stacking energy: -223.164 Base-Backbone interact. energy: 7.996 local terms energy: -383.309261 where: bonds (distance) C4'-P energy: -120.575 bonds (distance) P-C4' energy: -116.693 flat angles C4'-P-C4' energy: -118.873 flat angles P-C4'-P energy: -47.961 tors. eta vs tors. theta energy: 20.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2367.498896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.498896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.498896 (E_RNA) where: Base-Base interactions energy: -1599.785 where: short stacking energy: -697.350 Base-Backbone interact. energy: -0.427 local terms energy: -768.430224 where: bonds (distance) C4'-P energy: -142.535 bonds (distance) P-C4' energy: -153.145 flat angles C4'-P-C4' energy: -163.513 flat angles P-C4'-P energy: -113.260 tors. eta vs tors. theta energy: -195.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.143 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2320.031018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.031018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.031018 (E_RNA) where: Base-Base interactions energy: -1585.181 where: short stacking energy: -670.681 Base-Backbone interact. energy: -3.258 local terms energy: -731.591871 where: bonds (distance) C4'-P energy: -133.871 bonds (distance) P-C4' energy: -146.902 flat angles C4'-P-C4' energy: -174.629 flat angles P-C4'-P energy: -93.341 tors. eta vs tors. theta energy: -182.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2201.804297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.804297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.804297 (E_RNA) where: Base-Base interactions energy: -1475.072 where: short stacking energy: -646.379 Base-Backbone interact. energy: -1.080 local terms energy: -725.651637 where: bonds (distance) C4'-P energy: -123.348 bonds (distance) P-C4' energy: -153.580 flat angles C4'-P-C4' energy: -157.168 flat angles P-C4'-P energy: -107.669 tors. eta vs tors. theta energy: -183.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1953.986931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.986931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.986931 (E_RNA) where: Base-Base interactions energy: -1305.946 where: short stacking energy: -585.750 Base-Backbone interact. energy: -1.168 local terms energy: -646.872873 where: bonds (distance) C4'-P energy: -138.624 bonds (distance) P-C4' energy: -130.177 flat angles C4'-P-C4' energy: -136.158 flat angles P-C4'-P energy: -105.197 tors. eta vs tors. theta energy: -136.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1946.318683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.318683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.318683 (E_RNA) where: Base-Base interactions energy: -1302.429 where: short stacking energy: -559.896 Base-Backbone interact. energy: 0.607 local terms energy: -644.496096 where: bonds (distance) C4'-P energy: -128.454 bonds (distance) P-C4' energy: -135.697 flat angles C4'-P-C4' energy: -139.573 flat angles P-C4'-P energy: -95.570 tors. eta vs tors. theta energy: -145.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1770.186166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.186166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.186166 (E_RNA) where: Base-Base interactions energy: -1161.933 where: short stacking energy: -513.939 Base-Backbone interact. energy: -1.051 local terms energy: -607.202173 where: bonds (distance) C4'-P energy: -131.746 bonds (distance) P-C4' energy: -113.723 flat angles C4'-P-C4' energy: -141.590 flat angles P-C4'-P energy: -100.183 tors. eta vs tors. theta energy: -119.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1642.574449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.574449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.574449 (E_RNA) where: Base-Base interactions energy: -1072.600 where: short stacking energy: -480.732 Base-Backbone interact. energy: -0.198 local terms energy: -569.776094 where: bonds (distance) C4'-P energy: -111.777 bonds (distance) P-C4' energy: -128.894 flat angles C4'-P-C4' energy: -134.407 flat angles P-C4'-P energy: -76.975 tors. eta vs tors. theta energy: -117.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1204.966278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.966278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.966278 (E_RNA) where: Base-Base interactions energy: -726.494 where: short stacking energy: -363.975 Base-Backbone interact. energy: -3.949 local terms energy: -474.523398 where: bonds (distance) C4'-P energy: -95.141 bonds (distance) P-C4' energy: -133.166 flat angles C4'-P-C4' energy: -119.013 flat angles P-C4'-P energy: -73.431 tors. eta vs tors. theta energy: -53.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -941.657382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.657382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.657382 (E_RNA) where: Base-Base interactions energy: -502.970 where: short stacking energy: -261.850 Base-Backbone interact. energy: 9.268 local terms energy: -447.954929 where: bonds (distance) C4'-P energy: -117.168 bonds (distance) P-C4' energy: -117.123 flat angles C4'-P-C4' energy: -130.714 flat angles P-C4'-P energy: -70.064 tors. eta vs tors. theta energy: -12.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -754.041128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.041128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.041128 (E_RNA) where: Base-Base interactions energy: -369.078 where: short stacking energy: -195.304 Base-Backbone interact. energy: 1.447 local terms energy: -386.409328 where: bonds (distance) C4'-P energy: -114.497 bonds (distance) P-C4' energy: -150.308 flat angles C4'-P-C4' energy: -94.150 flat angles P-C4'-P energy: -52.371 tors. eta vs tors. theta energy: 24.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2398.631269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.631269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.631269 (E_RNA) where: Base-Base interactions energy: -1633.349 where: short stacking energy: -706.517 Base-Backbone interact. energy: -1.353 local terms energy: -763.928407 where: bonds (distance) C4'-P energy: -136.657 bonds (distance) P-C4' energy: -149.073 flat angles C4'-P-C4' energy: -162.277 flat angles P-C4'-P energy: -116.630 tors. eta vs tors. theta energy: -199.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2295.319966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.319966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.319966 (E_RNA) where: Base-Base interactions energy: -1574.740 where: short stacking energy: -655.479 Base-Backbone interact. energy: -5.354 local terms energy: -715.226696 where: bonds (distance) C4'-P energy: -134.366 bonds (distance) P-C4' energy: -142.084 flat angles C4'-P-C4' energy: -160.180 flat angles P-C4'-P energy: -101.898 tors. eta vs tors. theta energy: -176.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2235.487262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.487262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.487262 (E_RNA) where: Base-Base interactions energy: -1517.358 where: short stacking energy: -671.787 Base-Backbone interact. energy: 2.692 local terms energy: -720.820552 where: bonds (distance) C4'-P energy: -136.514 bonds (distance) P-C4' energy: -138.690 flat angles C4'-P-C4' energy: -153.848 flat angles P-C4'-P energy: -94.212 tors. eta vs tors. theta energy: -197.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1989.598381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.598381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.598381 (E_RNA) where: Base-Base interactions energy: -1301.062 where: short stacking energy: -597.934 Base-Backbone interact. energy: -5.552 local terms energy: -682.984200 where: bonds (distance) C4'-P energy: -137.501 bonds (distance) P-C4' energy: -146.775 flat angles C4'-P-C4' energy: -150.074 flat angles P-C4'-P energy: -97.435 tors. eta vs tors. theta energy: -151.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1967.455092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.455092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.455092 (E_RNA) where: Base-Base interactions energy: -1329.599 where: short stacking energy: -565.535 Base-Backbone interact. energy: 0.823 local terms energy: -638.679723 where: bonds (distance) C4'-P energy: -127.384 bonds (distance) P-C4' energy: -135.701 flat angles C4'-P-C4' energy: -145.010 flat angles P-C4'-P energy: -91.119 tors. eta vs tors. theta energy: -139.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1703.564957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.564957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.564957 (E_RNA) where: Base-Base interactions energy: -1113.932 where: short stacking energy: -451.201 Base-Backbone interact. energy: 3.332 local terms energy: -592.964668 where: bonds (distance) C4'-P energy: -127.668 bonds (distance) P-C4' energy: -138.180 flat angles C4'-P-C4' energy: -133.114 flat angles P-C4'-P energy: -97.127 tors. eta vs tors. theta energy: -96.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1630.918958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.918958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.918958 (E_RNA) where: Base-Base interactions energy: -1075.254 where: short stacking energy: -448.069 Base-Backbone interact. energy: -2.172 local terms energy: -553.492845 where: bonds (distance) C4'-P energy: -122.753 bonds (distance) P-C4' energy: -126.997 flat angles C4'-P-C4' energy: -137.163 flat angles P-C4'-P energy: -79.446 tors. eta vs tors. theta energy: -87.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1190.119487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.119487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.119487 (E_RNA) where: Base-Base interactions energy: -730.589 where: short stacking energy: -360.211 Base-Backbone interact. energy: -2.151 local terms energy: -457.379342 where: bonds (distance) C4'-P energy: -114.047 bonds (distance) P-C4' energy: -100.800 flat angles C4'-P-C4' energy: -122.832 flat angles P-C4'-P energy: -62.082 tors. eta vs tors. theta energy: -57.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -983.508525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.508525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.508525 (E_RNA) where: Base-Base interactions energy: -554.183 where: short stacking energy: -265.454 Base-Backbone interact. energy: -1.362 local terms energy: -427.963944 where: bonds (distance) C4'-P energy: -115.614 bonds (distance) P-C4' energy: -114.013 flat angles C4'-P-C4' energy: -108.680 flat angles P-C4'-P energy: -85.491 tors. eta vs tors. theta energy: -4.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -806.979215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.979215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.979215 (E_RNA) where: Base-Base interactions energy: -427.241 where: short stacking energy: -252.440 Base-Backbone interact. energy: 6.579 local terms energy: -386.316998 where: bonds (distance) C4'-P energy: -106.738 bonds (distance) P-C4' energy: -107.274 flat angles C4'-P-C4' energy: -112.017 flat angles P-C4'-P energy: -59.862 tors. eta vs tors. theta energy: -0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2433.514958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.514958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.514958 (E_RNA) where: Base-Base interactions energy: -1639.478 where: short stacking energy: -749.388 Base-Backbone interact. energy: 2.004 local terms energy: -796.041050 where: bonds (distance) C4'-P energy: -147.784 bonds (distance) P-C4' energy: -148.538 flat angles C4'-P-C4' energy: -181.812 flat angles P-C4'-P energy: -112.790 tors. eta vs tors. theta energy: -205.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2314.422817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.422817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.422817 (E_RNA) where: Base-Base interactions energy: -1537.957 where: short stacking energy: -678.439 Base-Backbone interact. energy: 1.615 local terms energy: -778.080764 where: bonds (distance) C4'-P energy: -151.205 bonds (distance) P-C4' energy: -161.822 flat angles C4'-P-C4' energy: -161.486 flat angles P-C4'-P energy: -93.580 tors. eta vs tors. theta energy: -209.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2212.052239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.052239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.052239 (E_RNA) where: Base-Base interactions energy: -1524.000 where: short stacking energy: -629.265 Base-Backbone interact. energy: 1.662 local terms energy: -689.714187 where: bonds (distance) C4'-P energy: -120.540 bonds (distance) P-C4' energy: -151.007 flat angles C4'-P-C4' energy: -164.177 flat angles P-C4'-P energy: -88.414 tors. eta vs tors. theta energy: -165.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2049.494437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.494437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.494437 (E_RNA) where: Base-Base interactions energy: -1370.811 where: short stacking energy: -588.725 Base-Backbone interact. energy: -3.903 local terms energy: -674.780647 where: bonds (distance) C4'-P energy: -134.754 bonds (distance) P-C4' energy: -150.169 flat angles C4'-P-C4' energy: -143.769 flat angles P-C4'-P energy: -98.076 tors. eta vs tors. theta energy: -148.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1918.762906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.762906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.762906 (E_RNA) where: Base-Base interactions energy: -1252.215 where: short stacking energy: -550.787 Base-Backbone interact. energy: 7.110 local terms energy: -673.657903 where: bonds (distance) C4'-P energy: -128.736 bonds (distance) P-C4' energy: -138.753 flat angles C4'-P-C4' energy: -158.538 flat angles P-C4'-P energy: -100.462 tors. eta vs tors. theta energy: -147.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1818.925637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.925637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.925637 (E_RNA) where: Base-Base interactions energy: -1193.920 where: short stacking energy: -539.879 Base-Backbone interact. energy: 3.338 local terms energy: -629.205087 where: bonds (distance) C4'-P energy: -139.779 bonds (distance) P-C4' energy: -122.295 flat angles C4'-P-C4' energy: -152.061 flat angles P-C4'-P energy: -90.690 tors. eta vs tors. theta energy: -124.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.862 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1606.754655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.754655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.754655 (E_RNA) where: Base-Base interactions energy: -1043.957 where: short stacking energy: -406.201 Base-Backbone interact. energy: -1.229 local terms energy: -561.569408 where: bonds (distance) C4'-P energy: -137.002 bonds (distance) P-C4' energy: -139.194 flat angles C4'-P-C4' energy: -125.404 flat angles P-C4'-P energy: -82.477 tors. eta vs tors. theta energy: -77.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1190.093786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.093786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.093786 (E_RNA) where: Base-Base interactions energy: -694.416 where: short stacking energy: -350.545 Base-Backbone interact. energy: 1.427 local terms energy: -497.104367 where: bonds (distance) C4'-P energy: -107.386 bonds (distance) P-C4' energy: -143.163 flat angles C4'-P-C4' energy: -113.265 flat angles P-C4'-P energy: -83.526 tors. eta vs tors. theta energy: -49.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -908.651922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.651922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.651922 (E_RNA) where: Base-Base interactions energy: -462.894 where: short stacking energy: -254.760 Base-Backbone interact. energy: -1.298 local terms energy: -444.460221 where: bonds (distance) C4'-P energy: -118.391 bonds (distance) P-C4' energy: -131.227 flat angles C4'-P-C4' energy: -100.065 flat angles P-C4'-P energy: -83.521 tors. eta vs tors. theta energy: -11.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -831.193577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.193577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.193577 (E_RNA) where: Base-Base interactions energy: -447.425 where: short stacking energy: -225.649 Base-Backbone interact. energy: 1.796 local terms energy: -385.564468 where: bonds (distance) C4'-P energy: -118.167 bonds (distance) P-C4' energy: -129.841 flat angles C4'-P-C4' energy: -111.038 flat angles P-C4'-P energy: -48.707 tors. eta vs tors. theta energy: 22.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2376.200647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.200647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.200647 (E_RNA) where: Base-Base interactions energy: -1600.707 where: short stacking energy: -726.304 Base-Backbone interact. energy: -1.814 local terms energy: -773.680350 where: bonds (distance) C4'-P energy: -146.360 bonds (distance) P-C4' energy: -146.563 flat angles C4'-P-C4' energy: -162.625 flat angles P-C4'-P energy: -112.641 tors. eta vs tors. theta energy: -205.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2344.860324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.860324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.860324 (E_RNA) where: Base-Base interactions energy: -1588.143 where: short stacking energy: -676.438 Base-Backbone interact. energy: 0.296 local terms energy: -757.013106 where: bonds (distance) C4'-P energy: -145.154 bonds (distance) P-C4' energy: -145.375 flat angles C4'-P-C4' energy: -171.233 flat angles P-C4'-P energy: -104.127 tors. eta vs tors. theta energy: -191.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2186.078056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.078056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.078056 (E_RNA) where: Base-Base interactions energy: -1500.293 where: short stacking energy: -617.575 Base-Backbone interact. energy: -2.434 local terms energy: -683.351108 where: bonds (distance) C4'-P energy: -136.172 bonds (distance) P-C4' energy: -134.749 flat angles C4'-P-C4' energy: -151.104 flat angles P-C4'-P energy: -105.539 tors. eta vs tors. theta energy: -155.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2085.937970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.937970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.937970 (E_RNA) where: Base-Base interactions energy: -1413.141 where: short stacking energy: -605.397 Base-Backbone interact. energy: 1.970 local terms energy: -674.766761 where: bonds (distance) C4'-P energy: -119.336 bonds (distance) P-C4' energy: -140.048 flat angles C4'-P-C4' energy: -163.250 flat angles P-C4'-P energy: -101.261 tors. eta vs tors. theta energy: -150.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1922.448329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.448329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.448329 (E_RNA) where: Base-Base interactions energy: -1301.581 where: short stacking energy: -558.033 Base-Backbone interact. energy: -3.058 local terms energy: -617.810041 where: bonds (distance) C4'-P energy: -118.179 bonds (distance) P-C4' energy: -135.552 flat angles C4'-P-C4' energy: -131.601 flat angles P-C4'-P energy: -91.919 tors. eta vs tors. theta energy: -140.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1816.266162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.266162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.266162 (E_RNA) where: Base-Base interactions energy: -1182.586 where: short stacking energy: -532.614 Base-Backbone interact. energy: 6.553 local terms energy: -640.233576 where: bonds (distance) C4'-P energy: -124.618 bonds (distance) P-C4' energy: -131.120 flat angles C4'-P-C4' energy: -158.977 flat angles P-C4'-P energy: -100.319 tors. eta vs tors. theta energy: -125.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1608.797596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.797596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.797596 (E_RNA) where: Base-Base interactions energy: -1055.527 where: short stacking energy: -471.455 Base-Backbone interact. energy: -0.645 local terms energy: -552.626196 where: bonds (distance) C4'-P energy: -121.223 bonds (distance) P-C4' energy: -136.135 flat angles C4'-P-C4' energy: -127.438 flat angles P-C4'-P energy: -76.426 tors. eta vs tors. theta energy: -91.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1216.647282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.647282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.647282 (E_RNA) where: Base-Base interactions energy: -699.689 where: short stacking energy: -345.004 Base-Backbone interact. energy: 4.995 local terms energy: -521.952922 where: bonds (distance) C4'-P energy: -125.683 bonds (distance) P-C4' energy: -126.298 flat angles C4'-P-C4' energy: -134.891 flat angles P-C4'-P energy: -64.565 tors. eta vs tors. theta energy: -70.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -865.290684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.290684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.290684 (E_RNA) where: Base-Base interactions energy: -455.564 where: short stacking energy: -230.415 Base-Backbone interact. energy: 6.800 local terms energy: -416.527281 where: bonds (distance) C4'-P energy: -124.509 bonds (distance) P-C4' energy: -126.519 flat angles C4'-P-C4' energy: -108.825 flat angles P-C4'-P energy: -53.791 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -822.698285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.698285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.698285 (E_RNA) where: Base-Base interactions energy: -402.442 where: short stacking energy: -241.676 Base-Backbone interact. energy: 4.039 local terms energy: -424.294784 where: bonds (distance) C4'-P energy: -131.881 bonds (distance) P-C4' energy: -110.332 flat angles C4'-P-C4' energy: -114.913 flat angles P-C4'-P energy: -50.960 tors. eta vs tors. theta energy: -16.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2414.529825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.529825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.529825 (E_RNA) where: Base-Base interactions energy: -1636.384 where: short stacking energy: -738.602 Base-Backbone interact. energy: 0.409 local terms energy: -778.554805 where: bonds (distance) C4'-P energy: -149.794 bonds (distance) P-C4' energy: -150.557 flat angles C4'-P-C4' energy: -168.022 flat angles P-C4'-P energy: -104.110 tors. eta vs tors. theta energy: -206.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2341.581802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.581802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.581802 (E_RNA) where: Base-Base interactions energy: -1579.857 where: short stacking energy: -693.724 Base-Backbone interact. energy: -6.081 local terms energy: -755.643264 where: bonds (distance) C4'-P energy: -153.017 bonds (distance) P-C4' energy: -146.901 flat angles C4'-P-C4' energy: -160.938 flat angles P-C4'-P energy: -106.103 tors. eta vs tors. theta energy: -188.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2182.699740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.699740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.699740 (E_RNA) where: Base-Base interactions energy: -1473.327 where: short stacking energy: -628.508 Base-Backbone interact. energy: -5.433 local terms energy: -703.939755 where: bonds (distance) C4'-P energy: -144.742 bonds (distance) P-C4' energy: -138.638 flat angles C4'-P-C4' energy: -157.906 flat angles P-C4'-P energy: -99.432 tors. eta vs tors. theta energy: -163.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2053.486142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.486142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.486142 (E_RNA) where: Base-Base interactions energy: -1395.028 where: short stacking energy: -579.359 Base-Backbone interact. energy: -2.171 local terms energy: -656.286835 where: bonds (distance) C4'-P energy: -138.451 bonds (distance) P-C4' energy: -131.263 flat angles C4'-P-C4' energy: -141.975 flat angles P-C4'-P energy: -88.663 tors. eta vs tors. theta energy: -155.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1897.588837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.588837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.588837 (E_RNA) where: Base-Base interactions energy: -1287.383 where: short stacking energy: -572.035 Base-Backbone interact. energy: -3.414 local terms energy: -606.791840 where: bonds (distance) C4'-P energy: -113.790 bonds (distance) P-C4' energy: -117.677 flat angles C4'-P-C4' energy: -139.874 flat angles P-C4'-P energy: -85.786 tors. eta vs tors. theta energy: -149.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1815.474147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.474147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.474147 (E_RNA) where: Base-Base interactions energy: -1208.979 where: short stacking energy: -531.365 Base-Backbone interact. energy: -1.590 local terms energy: -604.905371 where: bonds (distance) C4'-P energy: -113.849 bonds (distance) P-C4' energy: -118.898 flat angles C4'-P-C4' energy: -154.722 flat angles P-C4'-P energy: -88.366 tors. eta vs tors. theta energy: -129.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1546.745492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.745492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.745492 (E_RNA) where: Base-Base interactions energy: -976.710 where: short stacking energy: -438.760 Base-Backbone interact. energy: 1.503 local terms energy: -571.538380 where: bonds (distance) C4'-P energy: -125.638 bonds (distance) P-C4' energy: -122.845 flat angles C4'-P-C4' energy: -135.747 flat angles P-C4'-P energy: -95.145 tors. eta vs tors. theta energy: -92.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1211.142592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.142592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.142592 (E_RNA) where: Base-Base interactions energy: -726.524 where: short stacking energy: -366.099 Base-Backbone interact. energy: 1.687 local terms energy: -486.304901 where: bonds (distance) C4'-P energy: -96.708 bonds (distance) P-C4' energy: -130.806 flat angles C4'-P-C4' energy: -116.565 flat angles P-C4'-P energy: -69.480 tors. eta vs tors. theta energy: -72.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -924.406336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.406336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.406336 (E_RNA) where: Base-Base interactions energy: -473.422 where: short stacking energy: -276.822 Base-Backbone interact. energy: 5.419 local terms energy: -456.402790 where: bonds (distance) C4'-P energy: -112.196 bonds (distance) P-C4' energy: -140.975 flat angles C4'-P-C4' energy: -103.746 flat angles P-C4'-P energy: -74.430 tors. eta vs tors. theta energy: -25.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -728.580868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.580868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.580868 (E_RNA) where: Base-Base interactions energy: -369.944 where: short stacking energy: -200.517 Base-Backbone interact. energy: 5.176 local terms energy: -363.813036 where: bonds (distance) C4'-P energy: -105.278 bonds (distance) P-C4' energy: -117.762 flat angles C4'-P-C4' energy: -110.951 flat angles P-C4'-P energy: -51.261 tors. eta vs tors. theta energy: 21.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2388.021413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.021413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.021413 (E_RNA) where: Base-Base interactions energy: -1593.397 where: short stacking energy: -708.050 Base-Backbone interact. energy: -3.269 local terms energy: -791.354711 where: bonds (distance) C4'-P energy: -150.700 bonds (distance) P-C4' energy: -155.082 flat angles C4'-P-C4' energy: -160.674 flat angles P-C4'-P energy: -116.623 tors. eta vs tors. theta energy: -208.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2341.091740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.091740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.091740 (E_RNA) where: Base-Base interactions energy: -1591.199 where: short stacking energy: -717.772 Base-Backbone interact. energy: -2.197 local terms energy: -748.125419 where: bonds (distance) C4'-P energy: -136.796 bonds (distance) P-C4' energy: -148.802 flat angles C4'-P-C4' energy: -159.199 flat angles P-C4'-P energy: -103.354 tors. eta vs tors. theta energy: -199.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.430 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2218.221799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.221799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.221799 (E_RNA) where: Base-Base interactions energy: -1527.821 where: short stacking energy: -623.753 Base-Backbone interact. energy: -4.132 local terms energy: -686.268790 where: bonds (distance) C4'-P energy: -124.397 bonds (distance) P-C4' energy: -146.432 flat angles C4'-P-C4' energy: -152.065 flat angles P-C4'-P energy: -107.515 tors. eta vs tors. theta energy: -155.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2092.422977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.422977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.422977 (E_RNA) where: Base-Base interactions energy: -1418.833 where: short stacking energy: -607.601 Base-Backbone interact. energy: 0.824 local terms energy: -674.413161 where: bonds (distance) C4'-P energy: -128.021 bonds (distance) P-C4' energy: -133.802 flat angles C4'-P-C4' energy: -158.302 flat angles P-C4'-P energy: -97.248 tors. eta vs tors. theta energy: -157.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1885.758643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.758643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.758643 (E_RNA) where: Base-Base interactions energy: -1249.820 where: short stacking energy: -541.230 Base-Backbone interact. energy: 2.327 local terms energy: -638.265465 where: bonds (distance) C4'-P energy: -141.258 bonds (distance) P-C4' energy: -139.728 flat angles C4'-P-C4' energy: -140.503 flat angles P-C4'-P energy: -80.501 tors. eta vs tors. theta energy: -136.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1787.701170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.701170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.701170 (E_RNA) where: Base-Base interactions energy: -1157.295 where: short stacking energy: -525.676 Base-Backbone interact. energy: -0.499 local terms energy: -629.907272 where: bonds (distance) C4'-P energy: -127.992 bonds (distance) P-C4' energy: -144.481 flat angles C4'-P-C4' energy: -141.202 flat angles P-C4'-P energy: -104.699 tors. eta vs tors. theta energy: -111.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1527.998969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.998969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.998969 (E_RNA) where: Base-Base interactions energy: -982.652 where: short stacking energy: -453.202 Base-Backbone interact. energy: -2.341 local terms energy: -543.006059 where: bonds (distance) C4'-P energy: -126.158 bonds (distance) P-C4' energy: -112.278 flat angles C4'-P-C4' energy: -123.512 flat angles P-C4'-P energy: -86.611 tors. eta vs tors. theta energy: -94.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1192.187522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.187522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.187522 (E_RNA) where: Base-Base interactions energy: -682.781 where: short stacking energy: -326.691 Base-Backbone interact. energy: 2.366 local terms energy: -511.772837 where: bonds (distance) C4'-P energy: -124.566 bonds (distance) P-C4' energy: -145.549 flat angles C4'-P-C4' energy: -122.224 flat angles P-C4'-P energy: -74.804 tors. eta vs tors. theta energy: -44.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -948.551615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.551615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.551615 (E_RNA) where: Base-Base interactions energy: -481.559 where: short stacking energy: -289.959 Base-Backbone interact. energy: 11.435 local terms energy: -478.427205 where: bonds (distance) C4'-P energy: -135.692 bonds (distance) P-C4' energy: -134.647 flat angles C4'-P-C4' energy: -118.840 flat angles P-C4'-P energy: -65.542 tors. eta vs tors. theta energy: -23.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -827.915741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.915741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.915741 (E_RNA) where: Base-Base interactions energy: -410.262 where: short stacking energy: -214.746 Base-Backbone interact. energy: 5.244 local terms energy: -422.897247 where: bonds (distance) C4'-P energy: -104.092 bonds (distance) P-C4' energy: -143.638 flat angles C4'-P-C4' energy: -100.373 flat angles P-C4'-P energy: -69.559 tors. eta vs tors. theta energy: -5.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2401.220285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.220285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.220285 (E_RNA) where: Base-Base interactions energy: -1618.279 where: short stacking energy: -715.155 Base-Backbone interact. energy: 0.243 local terms energy: -783.183786 where: bonds (distance) C4'-P energy: -147.777 bonds (distance) P-C4' energy: -160.576 flat angles C4'-P-C4' energy: -158.923 flat angles P-C4'-P energy: -107.472 tors. eta vs tors. theta energy: -208.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2302.723591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.723591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.723591 (E_RNA) where: Base-Base interactions energy: -1577.671 where: short stacking energy: -676.721 Base-Backbone interact. energy: -3.004 local terms energy: -722.049092 where: bonds (distance) C4'-P energy: -132.646 bonds (distance) P-C4' energy: -133.713 flat angles C4'-P-C4' energy: -160.236 flat angles P-C4'-P energy: -99.679 tors. eta vs tors. theta energy: -195.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2284.428433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.428433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.428433 (E_RNA) where: Base-Base interactions energy: -1563.172 where: short stacking energy: -645.416 Base-Backbone interact. energy: -0.532 local terms energy: -720.724376 where: bonds (distance) C4'-P energy: -144.032 bonds (distance) P-C4' energy: -145.055 flat angles C4'-P-C4' energy: -149.293 flat angles P-C4'-P energy: -99.250 tors. eta vs tors. theta energy: -183.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2086.439775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.439775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.439775 (E_RNA) where: Base-Base interactions energy: -1403.574 where: short stacking energy: -592.056 Base-Backbone interact. energy: 0.670 local terms energy: -683.536610 where: bonds (distance) C4'-P energy: -141.899 bonds (distance) P-C4' energy: -144.381 flat angles C4'-P-C4' energy: -142.107 flat angles P-C4'-P energy: -106.175 tors. eta vs tors. theta energy: -148.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1942.974076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.974076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.974076 (E_RNA) where: Base-Base interactions energy: -1277.599 where: short stacking energy: -563.388 Base-Backbone interact. energy: -0.543 local terms energy: -664.832607 where: bonds (distance) C4'-P energy: -144.734 bonds (distance) P-C4' energy: -118.090 flat angles C4'-P-C4' energy: -160.439 flat angles P-C4'-P energy: -106.706 tors. eta vs tors. theta energy: -134.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1802.396734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.396734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.396734 (E_RNA) where: Base-Base interactions energy: -1173.833 where: short stacking energy: -476.603 Base-Backbone interact. energy: -5.514 local terms energy: -623.050021 where: bonds (distance) C4'-P energy: -139.968 bonds (distance) P-C4' energy: -135.945 flat angles C4'-P-C4' energy: -141.702 flat angles P-C4'-P energy: -88.560 tors. eta vs tors. theta energy: -116.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1642.416508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.416508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.416508 (E_RNA) where: Base-Base interactions energy: -1035.650 where: short stacking energy: -481.254 Base-Backbone interact. energy: -1.274 local terms energy: -605.493057 where: bonds (distance) C4'-P energy: -118.524 bonds (distance) P-C4' energy: -140.206 flat angles C4'-P-C4' energy: -131.085 flat angles P-C4'-P energy: -91.737 tors. eta vs tors. theta energy: -123.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1221.837789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.837789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.837789 (E_RNA) where: Base-Base interactions energy: -727.752 where: short stacking energy: -349.290 Base-Backbone interact. energy: 2.111 local terms energy: -496.196452 where: bonds (distance) C4'-P energy: -126.004 bonds (distance) P-C4' energy: -113.354 flat angles C4'-P-C4' energy: -114.391 flat angles P-C4'-P energy: -92.738 tors. eta vs tors. theta energy: -49.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -999.378497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.378497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.378497 (E_RNA) where: Base-Base interactions energy: -558.482 where: short stacking energy: -284.117 Base-Backbone interact. energy: 0.553 local terms energy: -441.449855 where: bonds (distance) C4'-P energy: -122.252 bonds (distance) P-C4' energy: -128.882 flat angles C4'-P-C4' energy: -111.328 flat angles P-C4'-P energy: -60.673 tors. eta vs tors. theta energy: -18.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -827.273587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.273587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.273587 (E_RNA) where: Base-Base interactions energy: -407.447 where: short stacking energy: -240.873 Base-Backbone interact. energy: 4.256 local terms energy: -424.083095 where: bonds (distance) C4'-P energy: -116.088 bonds (distance) P-C4' energy: -99.942 flat angles C4'-P-C4' energy: -113.779 flat angles P-C4'-P energy: -85.682 tors. eta vs tors. theta energy: -8.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2414.879754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.879754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.879754 (E_RNA) where: Base-Base interactions energy: -1601.090 where: short stacking energy: -716.489 Base-Backbone interact. energy: -1.697 local terms energy: -812.092415 where: bonds (distance) C4'-P energy: -147.892 bonds (distance) P-C4' energy: -164.752 flat angles C4'-P-C4' energy: -177.992 flat angles P-C4'-P energy: -111.062 tors. eta vs tors. theta energy: -210.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2341.783797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.783797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.783797 (E_RNA) where: Base-Base interactions energy: -1578.769 where: short stacking energy: -664.211 Base-Backbone interact. energy: -5.785 local terms energy: -757.230227 where: bonds (distance) C4'-P energy: -131.789 bonds (distance) P-C4' energy: -148.640 flat angles C4'-P-C4' energy: -168.894 flat angles P-C4'-P energy: -111.801 tors. eta vs tors. theta energy: -196.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2267.486788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.486788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.486788 (E_RNA) where: Base-Base interactions energy: -1553.109 where: short stacking energy: -649.138 Base-Backbone interact. energy: -1.272 local terms energy: -713.106047 where: bonds (distance) C4'-P energy: -140.137 bonds (distance) P-C4' energy: -136.770 flat angles C4'-P-C4' energy: -156.824 flat angles P-C4'-P energy: -99.992 tors. eta vs tors. theta energy: -179.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2105.107639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.107639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.107639 (E_RNA) where: Base-Base interactions energy: -1442.167 where: short stacking energy: -629.439 Base-Backbone interact. energy: -3.184 local terms energy: -659.757394 where: bonds (distance) C4'-P energy: -121.840 bonds (distance) P-C4' energy: -136.574 flat angles C4'-P-C4' energy: -147.862 flat angles P-C4'-P energy: -92.370 tors. eta vs tors. theta energy: -161.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1832.903285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.903285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.903285 (E_RNA) where: Base-Base interactions energy: -1200.337 where: short stacking energy: -530.907 Base-Backbone interact. energy: -0.344 local terms energy: -632.221915 where: bonds (distance) C4'-P energy: -137.931 bonds (distance) P-C4' energy: -141.699 flat angles C4'-P-C4' energy: -144.688 flat angles P-C4'-P energy: -87.295 tors. eta vs tors. theta energy: -120.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1766.075766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.075766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.075766 (E_RNA) where: Base-Base interactions energy: -1149.072 where: short stacking energy: -475.925 Base-Backbone interact. energy: 1.480 local terms energy: -618.483581 where: bonds (distance) C4'-P energy: -130.072 bonds (distance) P-C4' energy: -120.268 flat angles C4'-P-C4' energy: -145.706 flat angles P-C4'-P energy: -101.038 tors. eta vs tors. theta energy: -121.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1705.978876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.978876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.978876 (E_RNA) where: Base-Base interactions energy: -1094.111 where: short stacking energy: -507.537 Base-Backbone interact. energy: -3.876 local terms energy: -607.991441 where: bonds (distance) C4'-P energy: -134.542 bonds (distance) P-C4' energy: -118.482 flat angles C4'-P-C4' energy: -151.474 flat angles P-C4'-P energy: -77.010 tors. eta vs tors. theta energy: -126.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1221.512311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.512311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.512311 (E_RNA) where: Base-Base interactions energy: -716.899 where: short stacking energy: -313.916 Base-Backbone interact. energy: 3.603 local terms energy: -508.215473 where: bonds (distance) C4'-P energy: -137.264 bonds (distance) P-C4' energy: -141.884 flat angles C4'-P-C4' energy: -111.001 flat angles P-C4'-P energy: -80.580 tors. eta vs tors. theta energy: -37.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1030.799340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.799340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.799340 (E_RNA) where: Base-Base interactions energy: -615.453 where: short stacking energy: -307.324 Base-Backbone interact. energy: -0.186 local terms energy: -415.159984 where: bonds (distance) C4'-P energy: -100.111 bonds (distance) P-C4' energy: -118.540 flat angles C4'-P-C4' energy: -106.750 flat angles P-C4'-P energy: -64.151 tors. eta vs tors. theta energy: -25.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -820.149557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.149557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.149557 (E_RNA) where: Base-Base interactions energy: -432.786 where: short stacking energy: -261.235 Base-Backbone interact. energy: -1.671 local terms energy: -385.692583 where: bonds (distance) C4'-P energy: -105.161 bonds (distance) P-C4' energy: -128.304 flat angles C4'-P-C4' energy: -92.274 flat angles P-C4'-P energy: -60.421 tors. eta vs tors. theta energy: 0.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2450.723221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.723221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.723221 (E_RNA) where: Base-Base interactions energy: -1630.082 where: short stacking energy: -722.316 Base-Backbone interact. energy: -4.430 local terms energy: -816.211467 where: bonds (distance) C4'-P energy: -157.817 bonds (distance) P-C4' energy: -154.600 flat angles C4'-P-C4' energy: -181.050 flat angles P-C4'-P energy: -106.802 tors. eta vs tors. theta energy: -215.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2331.621557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.621557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.621557 (E_RNA) where: Base-Base interactions energy: -1573.946 where: short stacking energy: -662.312 Base-Backbone interact. energy: -4.233 local terms energy: -753.442894 where: bonds (distance) C4'-P energy: -153.479 bonds (distance) P-C4' energy: -141.558 flat angles C4'-P-C4' energy: -164.091 flat angles P-C4'-P energy: -102.708 tors. eta vs tors. theta energy: -191.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2260.159798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.159798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.159798 (E_RNA) where: Base-Base interactions energy: -1515.897 where: short stacking energy: -623.765 Base-Backbone interact. energy: -1.603 local terms energy: -742.659413 where: bonds (distance) C4'-P energy: -158.698 bonds (distance) P-C4' energy: -132.041 flat angles C4'-P-C4' energy: -177.360 flat angles P-C4'-P energy: -108.080 tors. eta vs tors. theta energy: -166.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2053.407217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.407217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.407217 (E_RNA) where: Base-Base interactions energy: -1379.282 where: short stacking energy: -571.399 Base-Backbone interact. energy: -3.184 local terms energy: -672.148824 where: bonds (distance) C4'-P energy: -140.234 bonds (distance) P-C4' energy: -145.547 flat angles C4'-P-C4' energy: -135.076 flat angles P-C4'-P energy: -100.557 tors. eta vs tors. theta energy: -150.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.208 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1859.312960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.312960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.312960 (E_RNA) where: Base-Base interactions energy: -1212.274 where: short stacking energy: -572.964 Base-Backbone interact. energy: -2.611 local terms energy: -644.427715 where: bonds (distance) C4'-P energy: -122.829 bonds (distance) P-C4' energy: -141.788 flat angles C4'-P-C4' energy: -158.749 flat angles P-C4'-P energy: -80.210 tors. eta vs tors. theta energy: -140.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1756.966022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.966022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.966022 (E_RNA) where: Base-Base interactions energy: -1164.424 where: short stacking energy: -512.028 Base-Backbone interact. energy: 3.425 local terms energy: -595.967260 where: bonds (distance) C4'-P energy: -119.669 bonds (distance) P-C4' energy: -139.243 flat angles C4'-P-C4' energy: -134.828 flat angles P-C4'-P energy: -88.217 tors. eta vs tors. theta energy: -114.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1631.727841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.727841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.727841 (E_RNA) where: Base-Base interactions energy: -1053.707 where: short stacking energy: -444.585 Base-Backbone interact. energy: 1.908 local terms energy: -579.929270 where: bonds (distance) C4'-P energy: -128.771 bonds (distance) P-C4' energy: -134.816 flat angles C4'-P-C4' energy: -127.224 flat angles P-C4'-P energy: -71.844 tors. eta vs tors. theta energy: -117.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1224.486039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.486039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.486039 (E_RNA) where: Base-Base interactions energy: -728.289 where: short stacking energy: -355.962 Base-Backbone interact. energy: -1.188 local terms energy: -495.008792 where: bonds (distance) C4'-P energy: -123.691 bonds (distance) P-C4' energy: -128.765 flat angles C4'-P-C4' energy: -118.097 flat angles P-C4'-P energy: -71.730 tors. eta vs tors. theta energy: -52.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1022.094133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.094133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.094133 (E_RNA) where: Base-Base interactions energy: -589.963 where: short stacking energy: -292.231 Base-Backbone interact. energy: 2.105 local terms energy: -434.236388 where: bonds (distance) C4'-P energy: -111.484 bonds (distance) P-C4' energy: -124.229 flat angles C4'-P-C4' energy: -112.031 flat angles P-C4'-P energy: -50.836 tors. eta vs tors. theta energy: -35.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -846.533310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.533310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.533310 (E_RNA) where: Base-Base interactions energy: -446.907 where: short stacking energy: -243.718 Base-Backbone interact. energy: 2.499 local terms energy: -402.125781 where: bonds (distance) C4'-P energy: -115.238 bonds (distance) P-C4' energy: -130.254 flat angles C4'-P-C4' energy: -105.747 flat angles P-C4'-P energy: -61.571 tors. eta vs tors. theta energy: 10.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2405.891999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.891999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.891999 (E_RNA) where: Base-Base interactions energy: -1617.911 where: short stacking energy: -705.910 Base-Backbone interact. energy: -0.097 local terms energy: -787.883431 where: bonds (distance) C4'-P energy: -148.026 bonds (distance) P-C4' energy: -154.587 flat angles C4'-P-C4' energy: -168.030 flat angles P-C4'-P energy: -109.196 tors. eta vs tors. theta energy: -208.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2300.282737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.282737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.282737 (E_RNA) where: Base-Base interactions energy: -1556.647 where: short stacking energy: -642.729 Base-Backbone interact. energy: 1.096 local terms energy: -744.731874 where: bonds (distance) C4'-P energy: -149.552 bonds (distance) P-C4' energy: -150.205 flat angles C4'-P-C4' energy: -160.841 flat angles P-C4'-P energy: -109.507 tors. eta vs tors. theta energy: -174.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2215.419073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.419073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.419073 (E_RNA) where: Base-Base interactions energy: -1507.312 where: short stacking energy: -624.736 Base-Backbone interact. energy: -2.058 local terms energy: -706.049190 where: bonds (distance) C4'-P energy: -148.557 bonds (distance) P-C4' energy: -147.968 flat angles C4'-P-C4' energy: -143.342 flat angles P-C4'-P energy: -96.471 tors. eta vs tors. theta energy: -169.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2060.271979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.271979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.271979 (E_RNA) where: Base-Base interactions energy: -1391.367 where: short stacking energy: -618.377 Base-Backbone interact. energy: -2.864 local terms energy: -666.546907 where: bonds (distance) C4'-P energy: -128.660 bonds (distance) P-C4' energy: -127.701 flat angles C4'-P-C4' energy: -145.566 flat angles P-C4'-P energy: -107.479 tors. eta vs tors. theta energy: -157.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.505 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1870.154905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.154905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.154905 (E_RNA) where: Base-Base interactions energy: -1226.077 where: short stacking energy: -513.455 Base-Backbone interact. energy: -3.758 local terms energy: -640.319651 where: bonds (distance) C4'-P energy: -129.505 bonds (distance) P-C4' energy: -144.470 flat angles C4'-P-C4' energy: -148.779 flat angles P-C4'-P energy: -90.979 tors. eta vs tors. theta energy: -126.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1762.484740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.484740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.484740 (E_RNA) where: Base-Base interactions energy: -1152.299 where: short stacking energy: -539.199 Base-Backbone interact. energy: -1.244 local terms energy: -608.941522 where: bonds (distance) C4'-P energy: -129.384 bonds (distance) P-C4' energy: -130.684 flat angles C4'-P-C4' energy: -134.274 flat angles P-C4'-P energy: -73.734 tors. eta vs tors. theta energy: -140.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1644.465824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.465824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.465824 (E_RNA) where: Base-Base interactions energy: -1071.099 where: short stacking energy: -477.334 Base-Backbone interact. energy: -0.224 local terms energy: -573.142755 where: bonds (distance) C4'-P energy: -118.306 bonds (distance) P-C4' energy: -132.827 flat angles C4'-P-C4' energy: -135.951 flat angles P-C4'-P energy: -75.378 tors. eta vs tors. theta energy: -110.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1201.263972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.263972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.263972 (E_RNA) where: Base-Base interactions energy: -713.887 where: short stacking energy: -329.099 Base-Backbone interact. energy: 1.097 local terms energy: -488.474411 where: bonds (distance) C4'-P energy: -133.713 bonds (distance) P-C4' energy: -128.701 flat angles C4'-P-C4' energy: -124.798 flat angles P-C4'-P energy: -70.649 tors. eta vs tors. theta energy: -30.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1043.264762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.264762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.264762 (E_RNA) where: Base-Base interactions energy: -597.712 where: short stacking energy: -296.440 Base-Backbone interact. energy: -2.821 local terms energy: -442.732577 where: bonds (distance) C4'-P energy: -111.386 bonds (distance) P-C4' energy: -127.079 flat angles C4'-P-C4' energy: -124.999 flat angles P-C4'-P energy: -53.887 tors. eta vs tors. theta energy: -25.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -944.986696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.986696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.986696 (E_RNA) where: Base-Base interactions energy: -571.356 where: short stacking energy: -279.134 Base-Backbone interact. energy: 15.431 local terms energy: -389.061889 where: bonds (distance) C4'-P energy: -112.020 bonds (distance) P-C4' energy: -110.046 flat angles C4'-P-C4' energy: -88.483 flat angles P-C4'-P energy: -65.120 tors. eta vs tors. theta energy: -13.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2444.732016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.732016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.732016 (E_RNA) where: Base-Base interactions energy: -1637.392 where: short stacking energy: -718.682 Base-Backbone interact. energy: -2.591 local terms energy: -804.748617 where: bonds (distance) C4'-P energy: -151.215 bonds (distance) P-C4' energy: -161.751 flat angles C4'-P-C4' energy: -171.569 flat angles P-C4'-P energy: -107.963 tors. eta vs tors. theta energy: -212.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2309.740238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.740238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.740238 (E_RNA) where: Base-Base interactions energy: -1607.681 where: short stacking energy: -702.220 Base-Backbone interact. energy: -2.745 local terms energy: -699.314660 where: bonds (distance) C4'-P energy: -117.890 bonds (distance) P-C4' energy: -147.205 flat angles C4'-P-C4' energy: -150.902 flat angles P-C4'-P energy: -95.160 tors. eta vs tors. theta energy: -188.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2262.804316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.804316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.804316 (E_RNA) where: Base-Base interactions energy: -1550.484 where: short stacking energy: -681.110 Base-Backbone interact. energy: -3.422 local terms energy: -708.898112 where: bonds (distance) C4'-P energy: -127.601 bonds (distance) P-C4' energy: -130.013 flat angles C4'-P-C4' energy: -161.376 flat angles P-C4'-P energy: -108.873 tors. eta vs tors. theta energy: -181.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2107.273780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.273780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.273780 (E_RNA) where: Base-Base interactions energy: -1428.123 where: short stacking energy: -636.733 Base-Backbone interact. energy: -1.718 local terms energy: -677.432335 where: bonds (distance) C4'-P energy: -131.272 bonds (distance) P-C4' energy: -123.885 flat angles C4'-P-C4' energy: -153.550 flat angles P-C4'-P energy: -94.418 tors. eta vs tors. theta energy: -174.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1869.088181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.088181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.088181 (E_RNA) where: Base-Base interactions energy: -1240.510 where: short stacking energy: -559.805 Base-Backbone interact. energy: -1.906 local terms energy: -626.672833 where: bonds (distance) C4'-P energy: -119.411 bonds (distance) P-C4' energy: -134.477 flat angles C4'-P-C4' energy: -140.510 flat angles P-C4'-P energy: -82.532 tors. eta vs tors. theta energy: -149.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1761.319076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.319076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.319076 (E_RNA) where: Base-Base interactions energy: -1127.708 where: short stacking energy: -536.436 Base-Backbone interact. energy: 5.630 local terms energy: -639.240836 where: bonds (distance) C4'-P energy: -121.059 bonds (distance) P-C4' energy: -144.607 flat angles C4'-P-C4' energy: -143.899 flat angles P-C4'-P energy: -87.830 tors. eta vs tors. theta energy: -141.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1627.499134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.499134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.499134 (E_RNA) where: Base-Base interactions energy: -1054.822 where: short stacking energy: -477.507 Base-Backbone interact. energy: -1.159 local terms energy: -571.518320 where: bonds (distance) C4'-P energy: -120.994 bonds (distance) P-C4' energy: -109.667 flat angles C4'-P-C4' energy: -148.148 flat angles P-C4'-P energy: -76.836 tors. eta vs tors. theta energy: -115.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1244.541131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.541131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.541131 (E_RNA) where: Base-Base interactions energy: -747.608 where: short stacking energy: -342.109 Base-Backbone interact. energy: 3.851 local terms energy: -500.784487 where: bonds (distance) C4'-P energy: -124.638 bonds (distance) P-C4' energy: -112.282 flat angles C4'-P-C4' energy: -118.726 flat angles P-C4'-P energy: -82.807 tors. eta vs tors. theta energy: -62.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1036.707343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.707343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.707343 (E_RNA) where: Base-Base interactions energy: -589.942 where: short stacking energy: -317.316 Base-Backbone interact. energy: 0.905 local terms energy: -447.669683 where: bonds (distance) C4'-P energy: -120.667 bonds (distance) P-C4' energy: -124.131 flat angles C4'-P-C4' energy: -98.742 flat angles P-C4'-P energy: -79.346 tors. eta vs tors. theta energy: -24.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -844.902832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.902832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.902832 (E_RNA) where: Base-Base interactions energy: -441.359 where: short stacking energy: -222.865 Base-Backbone interact. energy: -2.240 local terms energy: -401.304181 where: bonds (distance) C4'-P energy: -111.309 bonds (distance) P-C4' energy: -128.427 flat angles C4'-P-C4' energy: -104.648 flat angles P-C4'-P energy: -63.511 tors. eta vs tors. theta energy: 6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2437.613730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.613730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.613730 (E_RNA) where: Base-Base interactions energy: -1645.352 where: short stacking energy: -759.889 Base-Backbone interact. energy: 0.020 local terms energy: -792.281389 where: bonds (distance) C4'-P energy: -139.072 bonds (distance) P-C4' energy: -150.265 flat angles C4'-P-C4' energy: -175.982 flat angles P-C4'-P energy: -111.613 tors. eta vs tors. theta energy: -215.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2313.164482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.164482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.164482 (E_RNA) where: Base-Base interactions energy: -1575.343 where: short stacking energy: -656.122 Base-Backbone interact. energy: -1.986 local terms energy: -735.835297 where: bonds (distance) C4'-P energy: -141.681 bonds (distance) P-C4' energy: -145.707 flat angles C4'-P-C4' energy: -163.860 flat angles P-C4'-P energy: -111.693 tors. eta vs tors. theta energy: -172.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2263.934551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.934551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.934551 (E_RNA) where: Base-Base interactions energy: -1569.940 where: short stacking energy: -644.428 Base-Backbone interact. energy: -1.569 local terms energy: -692.425438 where: bonds (distance) C4'-P energy: -128.994 bonds (distance) P-C4' energy: -141.952 flat angles C4'-P-C4' energy: -157.618 flat angles P-C4'-P energy: -85.345 tors. eta vs tors. theta energy: -178.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2041.185693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.185693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.185693 (E_RNA) where: Base-Base interactions energy: -1348.522 where: short stacking energy: -572.344 Base-Backbone interact. energy: 0.148 local terms energy: -692.811365 where: bonds (distance) C4'-P energy: -133.241 bonds (distance) P-C4' energy: -143.657 flat angles C4'-P-C4' energy: -149.830 flat angles P-C4'-P energy: -108.294 tors. eta vs tors. theta energy: -157.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1937.648177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.648177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.648177 (E_RNA) where: Base-Base interactions energy: -1289.615 where: short stacking energy: -568.598 Base-Backbone interact. energy: -3.397 local terms energy: -644.636026 where: bonds (distance) C4'-P energy: -133.997 bonds (distance) P-C4' energy: -140.870 flat angles C4'-P-C4' energy: -149.602 flat angles P-C4'-P energy: -76.931 tors. eta vs tors. theta energy: -143.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1805.165781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.165781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.165781 (E_RNA) where: Base-Base interactions energy: -1201.471 where: short stacking energy: -536.971 Base-Backbone interact. energy: -1.557 local terms energy: -602.137002 where: bonds (distance) C4'-P energy: -121.682 bonds (distance) P-C4' energy: -122.268 flat angles C4'-P-C4' energy: -131.639 flat angles P-C4'-P energy: -102.293 tors. eta vs tors. theta energy: -124.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1684.835260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.835260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.835260 (E_RNA) where: Base-Base interactions energy: -1118.060 where: short stacking energy: -481.133 Base-Backbone interact. energy: -0.098 local terms energy: -566.676980 where: bonds (distance) C4'-P energy: -108.775 bonds (distance) P-C4' energy: -122.983 flat angles C4'-P-C4' energy: -136.964 flat angles P-C4'-P energy: -79.213 tors. eta vs tors. theta energy: -118.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1231.632673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.632673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.632673 (E_RNA) where: Base-Base interactions energy: -726.435 where: short stacking energy: -345.283 Base-Backbone interact. energy: -4.149 local terms energy: -501.048734 where: bonds (distance) C4'-P energy: -107.270 bonds (distance) P-C4' energy: -138.833 flat angles C4'-P-C4' energy: -120.917 flat angles P-C4'-P energy: -80.076 tors. eta vs tors. theta energy: -53.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -998.139983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.139983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.139983 (E_RNA) where: Base-Base interactions energy: -541.798 where: short stacking energy: -289.480 Base-Backbone interact. energy: -2.735 local terms energy: -453.607539 where: bonds (distance) C4'-P energy: -119.266 bonds (distance) P-C4' energy: -134.388 flat angles C4'-P-C4' energy: -106.009 flat angles P-C4'-P energy: -71.818 tors. eta vs tors. theta energy: -22.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -793.124846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.124846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.124846 (E_RNA) where: Base-Base interactions energy: -383.278 where: short stacking energy: -213.555 Base-Backbone interact. energy: 2.804 local terms energy: -412.651047 where: bonds (distance) C4'-P energy: -130.053 bonds (distance) P-C4' energy: -144.246 flat angles C4'-P-C4' energy: -91.147 flat angles P-C4'-P energy: -59.535 tors. eta vs tors. theta energy: 12.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2468.490617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.490617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.490617 (E_RNA) where: Base-Base interactions energy: -1672.362 where: short stacking energy: -729.576 Base-Backbone interact. energy: -3.525 local terms energy: -792.603434 where: bonds (distance) C4'-P energy: -149.590 bonds (distance) P-C4' energy: -162.254 flat angles C4'-P-C4' energy: -168.225 flat angles P-C4'-P energy: -102.603 tors. eta vs tors. theta energy: -209.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2313.028037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.028037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.028037 (E_RNA) where: Base-Base interactions energy: -1566.214 where: short stacking energy: -650.436 Base-Backbone interact. energy: -1.566 local terms energy: -745.392530 where: bonds (distance) C4'-P energy: -146.275 bonds (distance) P-C4' energy: -146.551 flat angles C4'-P-C4' energy: -153.693 flat angles P-C4'-P energy: -115.196 tors. eta vs tors. theta energy: -183.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.145 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2230.097632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.097632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.097632 (E_RNA) where: Base-Base interactions energy: -1527.266 where: short stacking energy: -624.911 Base-Backbone interact. energy: 1.288 local terms energy: -704.119259 where: bonds (distance) C4'-P energy: -150.714 bonds (distance) P-C4' energy: -138.353 flat angles C4'-P-C4' energy: -161.242 flat angles P-C4'-P energy: -88.399 tors. eta vs tors. theta energy: -165.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2103.600105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.600105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.600105 (E_RNA) where: Base-Base interactions energy: -1410.454 where: short stacking energy: -632.115 Base-Backbone interact. energy: 1.069 local terms energy: -694.214762 where: bonds (distance) C4'-P energy: -133.020 bonds (distance) P-C4' energy: -138.500 flat angles C4'-P-C4' energy: -152.304 flat angles P-C4'-P energy: -95.380 tors. eta vs tors. theta energy: -175.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1900.497528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.497528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.497528 (E_RNA) where: Base-Base interactions energy: -1239.977 where: short stacking energy: -551.375 Base-Backbone interact. energy: 3.474 local terms energy: -663.994373 where: bonds (distance) C4'-P energy: -119.086 bonds (distance) P-C4' energy: -148.391 flat angles C4'-P-C4' energy: -158.018 flat angles P-C4'-P energy: -93.437 tors. eta vs tors. theta energy: -145.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1806.028128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.028128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.028128 (E_RNA) where: Base-Base interactions energy: -1201.872 where: short stacking energy: -543.036 Base-Backbone interact. energy: -3.790 local terms energy: -600.365916 where: bonds (distance) C4'-P energy: -116.892 bonds (distance) P-C4' energy: -132.421 flat angles C4'-P-C4' energy: -136.437 flat angles P-C4'-P energy: -87.534 tors. eta vs tors. theta energy: -127.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1710.943578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.943578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.943578 (E_RNA) where: Base-Base interactions energy: -1113.285 where: short stacking energy: -514.081 Base-Backbone interact. energy: 4.259 local terms energy: -601.917598 where: bonds (distance) C4'-P energy: -121.487 bonds (distance) P-C4' energy: -138.705 flat angles C4'-P-C4' energy: -136.405 flat angles P-C4'-P energy: -85.126 tors. eta vs tors. theta energy: -120.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1269.883837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.883837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.883837 (E_RNA) where: Base-Base interactions energy: -785.848 where: short stacking energy: -366.214 Base-Backbone interact. energy: -0.899 local terms energy: -483.136833 where: bonds (distance) C4'-P energy: -124.750 bonds (distance) P-C4' energy: -137.601 flat angles C4'-P-C4' energy: -91.858 flat angles P-C4'-P energy: -71.656 tors. eta vs tors. theta energy: -57.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1004.117514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.117514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.117514 (E_RNA) where: Base-Base interactions energy: -555.673 where: short stacking energy: -286.489 Base-Backbone interact. energy: -3.379 local terms energy: -445.065260 where: bonds (distance) C4'-P energy: -121.550 bonds (distance) P-C4' energy: -124.190 flat angles C4'-P-C4' energy: -110.532 flat angles P-C4'-P energy: -68.475 tors. eta vs tors. theta energy: -20.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -769.373109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.373109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.373109 (E_RNA) where: Base-Base interactions energy: -377.949 where: short stacking energy: -215.156 Base-Backbone interact. energy: -0.476 local terms energy: -390.947218 where: bonds (distance) C4'-P energy: -122.949 bonds (distance) P-C4' energy: -120.105 flat angles C4'-P-C4' energy: -111.852 flat angles P-C4'-P energy: -42.171 tors. eta vs tors. theta energy: 6.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2409.814097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.814097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.814097 (E_RNA) where: Base-Base interactions energy: -1633.107 where: short stacking energy: -732.898 Base-Backbone interact. energy: -1.538 local terms energy: -775.168681 where: bonds (distance) C4'-P energy: -152.499 bonds (distance) P-C4' energy: -141.474 flat angles C4'-P-C4' energy: -166.643 flat angles P-C4'-P energy: -111.972 tors. eta vs tors. theta energy: -202.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2336.318975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.318975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.318975 (E_RNA) where: Base-Base interactions energy: -1598.270 where: short stacking energy: -678.988 Base-Backbone interact. energy: 2.489 local terms energy: -740.538556 where: bonds (distance) C4'-P energy: -127.921 bonds (distance) P-C4' energy: -152.150 flat angles C4'-P-C4' energy: -162.722 flat angles P-C4'-P energy: -112.687 tors. eta vs tors. theta energy: -185.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2241.873114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.873114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.873114 (E_RNA) where: Base-Base interactions energy: -1512.428 where: short stacking energy: -632.406 Base-Backbone interact. energy: 0.712 local terms energy: -730.156737 where: bonds (distance) C4'-P energy: -148.540 bonds (distance) P-C4' energy: -144.296 flat angles C4'-P-C4' energy: -161.022 flat angles P-C4'-P energy: -113.398 tors. eta vs tors. theta energy: -162.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2086.577995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.577995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.577995 (E_RNA) where: Base-Base interactions energy: -1398.533 where: short stacking energy: -620.537 Base-Backbone interact. energy: -4.481 local terms energy: -683.563438 where: bonds (distance) C4'-P energy: -133.584 bonds (distance) P-C4' energy: -127.401 flat angles C4'-P-C4' energy: -150.703 flat angles P-C4'-P energy: -104.987 tors. eta vs tors. theta energy: -166.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1898.863381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.863381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.863381 (E_RNA) where: Base-Base interactions energy: -1280.924 where: short stacking energy: -555.386 Base-Backbone interact. energy: 1.800 local terms energy: -619.738675 where: bonds (distance) C4'-P energy: -108.412 bonds (distance) P-C4' energy: -144.661 flat angles C4'-P-C4' energy: -144.519 flat angles P-C4'-P energy: -80.515 tors. eta vs tors. theta energy: -141.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1760.895828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.895828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.895828 (E_RNA) where: Base-Base interactions energy: -1141.630 where: short stacking energy: -510.965 Base-Backbone interact. energy: -1.246 local terms energy: -618.019305 where: bonds (distance) C4'-P energy: -135.235 bonds (distance) P-C4' energy: -122.942 flat angles C4'-P-C4' energy: -154.357 flat angles P-C4'-P energy: -91.098 tors. eta vs tors. theta energy: -114.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1636.003493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.003493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.003493 (E_RNA) where: Base-Base interactions energy: -1070.529 where: short stacking energy: -478.141 Base-Backbone interact. energy: 0.432 local terms energy: -565.906778 where: bonds (distance) C4'-P energy: -129.124 bonds (distance) P-C4' energy: -123.971 flat angles C4'-P-C4' energy: -131.405 flat angles P-C4'-P energy: -74.619 tors. eta vs tors. theta energy: -106.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1296.665840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.665840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.665840 (E_RNA) where: Base-Base interactions energy: -802.344 where: short stacking energy: -376.473 Base-Backbone interact. energy: -2.344 local terms energy: -491.977867 where: bonds (distance) C4'-P energy: -100.226 bonds (distance) P-C4' energy: -125.318 flat angles C4'-P-C4' energy: -125.849 flat angles P-C4'-P energy: -73.043 tors. eta vs tors. theta energy: -67.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -983.467751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.467751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.467751 (E_RNA) where: Base-Base interactions energy: -547.783 where: short stacking energy: -288.255 Base-Backbone interact. energy: -0.962 local terms energy: -434.722680 where: bonds (distance) C4'-P energy: -113.536 bonds (distance) P-C4' energy: -129.547 flat angles C4'-P-C4' energy: -94.883 flat angles P-C4'-P energy: -63.104 tors. eta vs tors. theta energy: -33.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -759.705421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.705421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.705421 (E_RNA) where: Base-Base interactions energy: -358.766 where: short stacking energy: -213.210 Base-Backbone interact. energy: 1.074 local terms energy: -402.013812 where: bonds (distance) C4'-P energy: -110.897 bonds (distance) P-C4' energy: -122.063 flat angles C4'-P-C4' energy: -110.740 flat angles P-C4'-P energy: -64.425 tors. eta vs tors. theta energy: 6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2440.860209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.860209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.860209 (E_RNA) where: Base-Base interactions energy: -1665.509 where: short stacking energy: -725.092 Base-Backbone interact. energy: -1.283 local terms energy: -774.068891 where: bonds (distance) C4'-P energy: -135.217 bonds (distance) P-C4' energy: -162.996 flat angles C4'-P-C4' energy: -155.639 flat angles P-C4'-P energy: -114.957 tors. eta vs tors. theta energy: -205.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2342.192722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.192722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.192722 (E_RNA) where: Base-Base interactions energy: -1584.108 where: short stacking energy: -678.397 Base-Backbone interact. energy: -4.997 local terms energy: -753.087306 where: bonds (distance) C4'-P energy: -163.297 bonds (distance) P-C4' energy: -145.563 flat angles C4'-P-C4' energy: -161.117 flat angles P-C4'-P energy: -98.110 tors. eta vs tors. theta energy: -184.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2242.966193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.966193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.966193 (E_RNA) where: Base-Base interactions energy: -1527.620 where: short stacking energy: -629.540 Base-Backbone interact. energy: -2.992 local terms energy: -712.354224 where: bonds (distance) C4'-P energy: -143.464 bonds (distance) P-C4' energy: -147.267 flat angles C4'-P-C4' energy: -151.512 flat angles P-C4'-P energy: -91.041 tors. eta vs tors. theta energy: -179.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2098.525846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.525846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.525846 (E_RNA) where: Base-Base interactions energy: -1428.169 where: short stacking energy: -591.426 Base-Backbone interact. energy: 0.857 local terms energy: -671.213878 where: bonds (distance) C4'-P energy: -130.104 bonds (distance) P-C4' energy: -140.422 flat angles C4'-P-C4' energy: -142.481 flat angles P-C4'-P energy: -94.507 tors. eta vs tors. theta energy: -163.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1950.761043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.761043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.761043 (E_RNA) where: Base-Base interactions energy: -1314.023 where: short stacking energy: -586.136 Base-Backbone interact. energy: -1.385 local terms energy: -635.352931 where: bonds (distance) C4'-P energy: -132.318 bonds (distance) P-C4' energy: -118.004 flat angles C4'-P-C4' energy: -156.064 flat angles P-C4'-P energy: -80.943 tors. eta vs tors. theta energy: -148.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1734.187811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.187811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.187811 (E_RNA) where: Base-Base interactions energy: -1143.622 where: short stacking energy: -516.220 Base-Backbone interact. energy: -0.836 local terms energy: -589.729885 where: bonds (distance) C4'-P energy: -108.601 bonds (distance) P-C4' energy: -127.654 flat angles C4'-P-C4' energy: -145.578 flat angles P-C4'-P energy: -108.884 tors. eta vs tors. theta energy: -99.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1666.098440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.098440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.098440 (E_RNA) where: Base-Base interactions energy: -1127.853 where: short stacking energy: -493.147 Base-Backbone interact. energy: 1.032 local terms energy: -539.277531 where: bonds (distance) C4'-P energy: -104.303 bonds (distance) P-C4' energy: -121.983 flat angles C4'-P-C4' energy: -129.479 flat angles P-C4'-P energy: -76.454 tors. eta vs tors. theta energy: -107.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1215.541301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.541301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.541301 (E_RNA) where: Base-Base interactions energy: -723.826 where: short stacking energy: -338.458 Base-Backbone interact. energy: -2.567 local terms energy: -489.149179 where: bonds (distance) C4'-P energy: -117.188 bonds (distance) P-C4' energy: -134.959 flat angles C4'-P-C4' energy: -124.989 flat angles P-C4'-P energy: -67.434 tors. eta vs tors. theta energy: -44.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1056.162428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.162428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.162428 (E_RNA) where: Base-Base interactions energy: -585.212 where: short stacking energy: -319.820 Base-Backbone interact. energy: 1.132 local terms energy: -472.081844 where: bonds (distance) C4'-P energy: -100.820 bonds (distance) P-C4' energy: -139.959 flat angles C4'-P-C4' energy: -117.470 flat angles P-C4'-P energy: -60.129 tors. eta vs tors. theta energy: -53.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -786.153044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.153044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.153044 (E_RNA) where: Base-Base interactions energy: -446.872 where: short stacking energy: -246.620 Base-Backbone interact. energy: 5.816 local terms energy: -345.097109 where: bonds (distance) C4'-P energy: -100.592 bonds (distance) P-C4' energy: -112.318 flat angles C4'-P-C4' energy: -71.577 flat angles P-C4'-P energy: -65.602 tors. eta vs tors. theta energy: 4.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2435.438436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.438436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.438436 (E_RNA) where: Base-Base interactions energy: -1660.395 where: short stacking energy: -714.868 Base-Backbone interact. energy: -2.311 local terms energy: -772.732030 where: bonds (distance) C4'-P energy: -147.377 bonds (distance) P-C4' energy: -153.278 flat angles C4'-P-C4' energy: -150.434 flat angles P-C4'-P energy: -110.169 tors. eta vs tors. theta energy: -211.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2325.952159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.952159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.952159 (E_RNA) where: Base-Base interactions energy: -1590.131 where: short stacking energy: -705.778 Base-Backbone interact. energy: -0.103 local terms energy: -735.718143 where: bonds (distance) C4'-P energy: -141.515 bonds (distance) P-C4' energy: -141.237 flat angles C4'-P-C4' energy: -148.482 flat angles P-C4'-P energy: -106.413 tors. eta vs tors. theta energy: -198.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2194.107184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.107184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.107184 (E_RNA) where: Base-Base interactions energy: -1525.493 where: short stacking energy: -649.034 Base-Backbone interact. energy: 0.385 local terms energy: -668.999257 where: bonds (distance) C4'-P energy: -119.780 bonds (distance) P-C4' energy: -141.657 flat angles C4'-P-C4' energy: -139.653 flat angles P-C4'-P energy: -107.009 tors. eta vs tors. theta energy: -160.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2107.269129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.269129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.269129 (E_RNA) where: Base-Base interactions energy: -1412.215 where: short stacking energy: -625.801 Base-Backbone interact. energy: -2.300 local terms energy: -692.754040 where: bonds (distance) C4'-P energy: -139.152 bonds (distance) P-C4' energy: -136.896 flat angles C4'-P-C4' energy: -143.395 flat angles P-C4'-P energy: -111.437 tors. eta vs tors. theta energy: -161.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1958.422931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.422931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.422931 (E_RNA) where: Base-Base interactions energy: -1312.475 where: short stacking energy: -565.085 Base-Backbone interact. energy: -3.168 local terms energy: -642.780099 where: bonds (distance) C4'-P energy: -138.735 bonds (distance) P-C4' energy: -135.053 flat angles C4'-P-C4' energy: -142.837 flat angles P-C4'-P energy: -94.435 tors. eta vs tors. theta energy: -131.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1728.461428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.461428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.461428 (E_RNA) where: Base-Base interactions energy: -1131.637 where: short stacking energy: -493.161 Base-Backbone interact. energy: 2.794 local terms energy: -599.618598 where: bonds (distance) C4'-P energy: -130.398 bonds (distance) P-C4' energy: -136.972 flat angles C4'-P-C4' energy: -144.869 flat angles P-C4'-P energy: -76.134 tors. eta vs tors. theta energy: -111.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1709.554071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.554071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.554071 (E_RNA) where: Base-Base interactions energy: -1144.490 where: short stacking energy: -517.642 Base-Backbone interact. energy: -0.830 local terms energy: -564.234364 where: bonds (distance) C4'-P energy: -113.980 bonds (distance) P-C4' energy: -134.050 flat angles C4'-P-C4' energy: -128.388 flat angles P-C4'-P energy: -73.744 tors. eta vs tors. theta energy: -114.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1215.613529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.613529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.613529 (E_RNA) where: Base-Base interactions energy: -698.718 where: short stacking energy: -349.188 Base-Backbone interact. energy: 1.263 local terms energy: -518.158605 where: bonds (distance) C4'-P energy: -129.146 bonds (distance) P-C4' energy: -131.875 flat angles C4'-P-C4' energy: -112.075 flat angles P-C4'-P energy: -75.889 tors. eta vs tors. theta energy: -69.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1055.382100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.382100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.382100 (E_RNA) where: Base-Base interactions energy: -590.024 where: short stacking energy: -292.422 Base-Backbone interact. energy: -1.422 local terms energy: -463.936444 where: bonds (distance) C4'-P energy: -116.285 bonds (distance) P-C4' energy: -117.603 flat angles C4'-P-C4' energy: -103.453 flat angles P-C4'-P energy: -79.246 tors. eta vs tors. theta energy: -47.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -805.968010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.968010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.968010 (E_RNA) where: Base-Base interactions energy: -388.874 where: short stacking energy: -213.560 Base-Backbone interact. energy: 3.494 local terms energy: -420.588515 where: bonds (distance) C4'-P energy: -109.996 bonds (distance) P-C4' energy: -126.324 flat angles C4'-P-C4' energy: -111.515 flat angles P-C4'-P energy: -64.727 tors. eta vs tors. theta energy: -8.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2481.098148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.098148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.098148 (E_RNA) where: Base-Base interactions energy: -1692.447 where: short stacking energy: -756.913 Base-Backbone interact. energy: -1.672 local terms energy: -786.978669 where: bonds (distance) C4'-P energy: -146.508 bonds (distance) P-C4' energy: -144.622 flat angles C4'-P-C4' energy: -161.969 flat angles P-C4'-P energy: -116.206 tors. eta vs tors. theta energy: -217.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2336.976369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.976369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.976369 (E_RNA) where: Base-Base interactions energy: -1587.877 where: short stacking energy: -705.838 Base-Backbone interact. energy: 8.397 local terms energy: -757.495972 where: bonds (distance) C4'-P energy: -150.402 bonds (distance) P-C4' energy: -157.844 flat angles C4'-P-C4' energy: -153.299 flat angles P-C4'-P energy: -93.020 tors. eta vs tors. theta energy: -202.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2251.883885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.883885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.883885 (E_RNA) where: Base-Base interactions energy: -1544.103 where: short stacking energy: -673.770 Base-Backbone interact. energy: 0.472 local terms energy: -708.252472 where: bonds (distance) C4'-P energy: -131.185 bonds (distance) P-C4' energy: -150.115 flat angles C4'-P-C4' energy: -156.540 flat angles P-C4'-P energy: -93.489 tors. eta vs tors. theta energy: -176.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2088.736953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.736953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.736953 (E_RNA) where: Base-Base interactions energy: -1399.247 where: short stacking energy: -602.483 Base-Backbone interact. energy: -3.092 local terms energy: -686.397244 where: bonds (distance) C4'-P energy: -142.361 bonds (distance) P-C4' energy: -137.279 flat angles C4'-P-C4' energy: -147.035 flat angles P-C4'-P energy: -100.683 tors. eta vs tors. theta energy: -159.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1972.905237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.905237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.905237 (E_RNA) where: Base-Base interactions energy: -1318.843 where: short stacking energy: -594.652 Base-Backbone interact. energy: -5.071 local terms energy: -650.168548 where: bonds (distance) C4'-P energy: -128.132 bonds (distance) P-C4' energy: -132.238 flat angles C4'-P-C4' energy: -148.956 flat angles P-C4'-P energy: -88.574 tors. eta vs tors. theta energy: -152.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.177 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1668.868548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.868548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.868548 (E_RNA) where: Base-Base interactions energy: -1068.179 where: short stacking energy: -492.414 Base-Backbone interact. energy: -5.095 local terms energy: -595.594418 where: bonds (distance) C4'-P energy: -119.762 bonds (distance) P-C4' energy: -134.878 flat angles C4'-P-C4' energy: -140.206 flat angles P-C4'-P energy: -84.170 tors. eta vs tors. theta energy: -116.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1675.440867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.440867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.440867 (E_RNA) where: Base-Base interactions energy: -1095.249 where: short stacking energy: -496.385 Base-Backbone interact. energy: 4.263 local terms energy: -584.454954 where: bonds (distance) C4'-P energy: -127.515 bonds (distance) P-C4' energy: -132.601 flat angles C4'-P-C4' energy: -121.910 flat angles P-C4'-P energy: -85.487 tors. eta vs tors. theta energy: -116.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1276.717263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.717263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.717263 (E_RNA) where: Base-Base interactions energy: -743.018 where: short stacking energy: -370.886 Base-Backbone interact. energy: -0.778 local terms energy: -532.920506 where: bonds (distance) C4'-P energy: -122.646 bonds (distance) P-C4' energy: -118.812 flat angles C4'-P-C4' energy: -112.603 flat angles P-C4'-P energy: -91.553 tors. eta vs tors. theta energy: -87.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -981.198833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.198833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.198833 (E_RNA) where: Base-Base interactions energy: -516.137 where: short stacking energy: -283.600 Base-Backbone interact. energy: 1.196 local terms energy: -466.257706 where: bonds (distance) C4'-P energy: -133.568 bonds (distance) P-C4' energy: -130.420 flat angles C4'-P-C4' energy: -119.680 flat angles P-C4'-P energy: -53.034 tors. eta vs tors. theta energy: -29.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -871.282792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.282792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.282792 (E_RNA) where: Base-Base interactions energy: -457.178 where: short stacking energy: -239.583 Base-Backbone interact. energy: -0.804 local terms energy: -413.300878 where: bonds (distance) C4'-P energy: -130.147 bonds (distance) P-C4' energy: -112.050 flat angles C4'-P-C4' energy: -120.646 flat angles P-C4'-P energy: -52.929 tors. eta vs tors. theta energy: 2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2475.103328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.103328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.103328 (E_RNA) where: Base-Base interactions energy: -1667.222 where: short stacking energy: -734.207 Base-Backbone interact. energy: -2.474 local terms energy: -805.406442 where: bonds (distance) C4'-P energy: -148.710 bonds (distance) P-C4' energy: -160.818 flat angles C4'-P-C4' energy: -160.190 flat angles P-C4'-P energy: -122.526 tors. eta vs tors. theta energy: -213.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2334.221273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.221273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.221273 (E_RNA) where: Base-Base interactions energy: -1572.267 where: short stacking energy: -692.598 Base-Backbone interact. energy: 4.007 local terms energy: -765.961327 where: bonds (distance) C4'-P energy: -142.080 bonds (distance) P-C4' energy: -149.661 flat angles C4'-P-C4' energy: -159.449 flat angles P-C4'-P energy: -114.786 tors. eta vs tors. theta energy: -199.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2193.954823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.954823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.954823 (E_RNA) where: Base-Base interactions energy: -1464.284 where: short stacking energy: -621.524 Base-Backbone interact. energy: -1.519 local terms energy: -728.150946 where: bonds (distance) C4'-P energy: -135.016 bonds (distance) P-C4' energy: -155.390 flat angles C4'-P-C4' energy: -151.552 flat angles P-C4'-P energy: -96.229 tors. eta vs tors. theta energy: -189.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2112.853952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.853952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.853952 (E_RNA) where: Base-Base interactions energy: -1420.397 where: short stacking energy: -602.597 Base-Backbone interact. energy: -2.994 local terms energy: -689.462649 where: bonds (distance) C4'-P energy: -146.780 bonds (distance) P-C4' energy: -136.854 flat angles C4'-P-C4' energy: -152.715 flat angles P-C4'-P energy: -93.449 tors. eta vs tors. theta energy: -159.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1948.621765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.621765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.621765 (E_RNA) where: Base-Base interactions energy: -1282.585 where: short stacking energy: -565.164 Base-Backbone interact. energy: 0.720 local terms energy: -666.756716 where: bonds (distance) C4'-P energy: -127.037 bonds (distance) P-C4' energy: -145.618 flat angles C4'-P-C4' energy: -150.791 flat angles P-C4'-P energy: -100.398 tors. eta vs tors. theta energy: -142.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1775.018262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.018262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.018262 (E_RNA) where: Base-Base interactions energy: -1163.155 where: short stacking energy: -540.387 Base-Backbone interact. energy: 0.856 local terms energy: -612.719641 where: bonds (distance) C4'-P energy: -125.107 bonds (distance) P-C4' energy: -135.950 flat angles C4'-P-C4' energy: -143.206 flat angles P-C4'-P energy: -73.515 tors. eta vs tors. theta energy: -134.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1614.047169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.047169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.047169 (E_RNA) where: Base-Base interactions energy: -1048.355 where: short stacking energy: -510.525 Base-Backbone interact. energy: 1.023 local terms energy: -566.715572 where: bonds (distance) C4'-P energy: -129.381 bonds (distance) P-C4' energy: -130.400 flat angles C4'-P-C4' energy: -118.625 flat angles P-C4'-P energy: -77.799 tors. eta vs tors. theta energy: -110.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1276.128715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.128715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.128715 (E_RNA) where: Base-Base interactions energy: -788.293 where: short stacking energy: -363.470 Base-Backbone interact. energy: 5.041 local terms energy: -492.875891 where: bonds (distance) C4'-P energy: -115.563 bonds (distance) P-C4' energy: -117.752 flat angles C4'-P-C4' energy: -131.169 flat angles P-C4'-P energy: -80.431 tors. eta vs tors. theta energy: -47.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -980.810137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.810137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.810137 (E_RNA) where: Base-Base interactions energy: -529.282 where: short stacking energy: -292.337 Base-Backbone interact. energy: -0.031 local terms energy: -451.497229 where: bonds (distance) C4'-P energy: -97.935 bonds (distance) P-C4' energy: -139.190 flat angles C4'-P-C4' energy: -112.489 flat angles P-C4'-P energy: -69.359 tors. eta vs tors. theta energy: -32.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -770.570158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.570158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.570158 (E_RNA) where: Base-Base interactions energy: -408.662 where: short stacking energy: -199.789 Base-Backbone interact. energy: 4.509 local terms energy: -366.416914 where: bonds (distance) C4'-P energy: -111.267 bonds (distance) P-C4' energy: -125.398 flat angles C4'-P-C4' energy: -89.700 flat angles P-C4'-P energy: -57.090 tors. eta vs tors. theta energy: 17.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2481.764305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.764305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.764305 (E_RNA) where: Base-Base interactions energy: -1668.357 where: short stacking energy: -722.419 Base-Backbone interact. energy: -2.250 local terms energy: -811.156929 where: bonds (distance) C4'-P energy: -150.796 bonds (distance) P-C4' energy: -155.931 flat angles C4'-P-C4' energy: -163.420 flat angles P-C4'-P energy: -126.851 tors. eta vs tors. theta energy: -214.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2325.908805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.908805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.908805 (E_RNA) where: Base-Base interactions energy: -1569.030 where: short stacking energy: -666.401 Base-Backbone interact. energy: -2.724 local terms energy: -754.154227 where: bonds (distance) C4'-P energy: -136.192 bonds (distance) P-C4' energy: -164.870 flat angles C4'-P-C4' energy: -165.432 flat angles P-C4'-P energy: -100.605 tors. eta vs tors. theta energy: -187.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2227.539252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.539252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.539252 (E_RNA) where: Base-Base interactions energy: -1509.652 where: short stacking energy: -650.483 Base-Backbone interact. energy: -2.869 local terms energy: -715.018269 where: bonds (distance) C4'-P energy: -126.042 bonds (distance) P-C4' energy: -147.985 flat angles C4'-P-C4' energy: -162.644 flat angles P-C4'-P energy: -90.525 tors. eta vs tors. theta energy: -187.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2136.213747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.213747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.213747 (E_RNA) where: Base-Base interactions energy: -1442.066 where: short stacking energy: -614.948 Base-Backbone interact. energy: -1.745 local terms energy: -692.402847 where: bonds (distance) C4'-P energy: -124.472 bonds (distance) P-C4' energy: -154.270 flat angles C4'-P-C4' energy: -146.862 flat angles P-C4'-P energy: -98.646 tors. eta vs tors. theta energy: -168.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1964.254008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.254008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.254008 (E_RNA) where: Base-Base interactions energy: -1337.395 where: short stacking energy: -585.907 Base-Backbone interact. energy: -1.054 local terms energy: -625.804831 where: bonds (distance) C4'-P energy: -115.890 bonds (distance) P-C4' energy: -125.965 flat angles C4'-P-C4' energy: -144.524 flat angles P-C4'-P energy: -91.931 tors. eta vs tors. theta energy: -147.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1740.608185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.608185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.608185 (E_RNA) where: Base-Base interactions energy: -1140.926 where: short stacking energy: -499.430 Base-Backbone interact. energy: -1.708 local terms energy: -597.973787 where: bonds (distance) C4'-P energy: -125.032 bonds (distance) P-C4' energy: -143.013 flat angles C4'-P-C4' energy: -125.692 flat angles P-C4'-P energy: -95.525 tors. eta vs tors. theta energy: -108.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1647.791884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.791884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.791884 (E_RNA) where: Base-Base interactions energy: -1060.863 where: short stacking energy: -480.788 Base-Backbone interact. energy: 3.994 local terms energy: -590.922728 where: bonds (distance) C4'-P energy: -117.217 bonds (distance) P-C4' energy: -141.285 flat angles C4'-P-C4' energy: -139.741 flat angles P-C4'-P energy: -77.150 tors. eta vs tors. theta energy: -115.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1276.306283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.306283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.306283 (E_RNA) where: Base-Base interactions energy: -786.275 where: short stacking energy: -364.029 Base-Backbone interact. energy: -0.012 local terms energy: -490.019329 where: bonds (distance) C4'-P energy: -115.622 bonds (distance) P-C4' energy: -115.196 flat angles C4'-P-C4' energy: -119.001 flat angles P-C4'-P energy: -73.091 tors. eta vs tors. theta energy: -67.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1061.289336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.289336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.289336 (E_RNA) where: Base-Base interactions energy: -612.185 where: short stacking energy: -317.554 Base-Backbone interact. energy: 2.000 local terms energy: -451.104364 where: bonds (distance) C4'-P energy: -94.161 bonds (distance) P-C4' energy: -112.424 flat angles C4'-P-C4' energy: -121.384 flat angles P-C4'-P energy: -62.306 tors. eta vs tors. theta energy: -60.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -747.076661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.076661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.076661 (E_RNA) where: Base-Base interactions energy: -342.148 where: short stacking energy: -223.697 Base-Backbone interact. energy: 3.416 local terms energy: -408.345365 where: bonds (distance) C4'-P energy: -128.348 bonds (distance) P-C4' energy: -124.933 flat angles C4'-P-C4' energy: -114.122 flat angles P-C4'-P energy: -50.909 tors. eta vs tors. theta energy: 9.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2506.179153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.179153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.179153 (E_RNA) where: Base-Base interactions energy: -1708.212 where: short stacking energy: -730.759 Base-Backbone interact. energy: -0.798 local terms energy: -797.169947 where: bonds (distance) C4'-P energy: -135.901 bonds (distance) P-C4' energy: -148.062 flat angles C4'-P-C4' energy: -176.738 flat angles P-C4'-P energy: -116.260 tors. eta vs tors. theta energy: -220.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2358.711174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.711174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.711174 (E_RNA) where: Base-Base interactions energy: -1611.332 where: short stacking energy: -709.315 Base-Backbone interact. energy: -0.609 local terms energy: -746.770801 where: bonds (distance) C4'-P energy: -140.917 bonds (distance) P-C4' energy: -147.536 flat angles C4'-P-C4' energy: -158.586 flat angles P-C4'-P energy: -102.384 tors. eta vs tors. theta energy: -197.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2219.323430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.323430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.323430 (E_RNA) where: Base-Base interactions energy: -1469.187 where: short stacking energy: -646.611 Base-Backbone interact. energy: -1.731 local terms energy: -748.405929 where: bonds (distance) C4'-P energy: -153.390 bonds (distance) P-C4' energy: -153.861 flat angles C4'-P-C4' energy: -152.715 flat angles P-C4'-P energy: -106.537 tors. eta vs tors. theta energy: -181.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2103.990807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.990807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.990807 (E_RNA) where: Base-Base interactions energy: -1426.802 where: short stacking energy: -613.403 Base-Backbone interact. energy: -5.759 local terms energy: -671.429802 where: bonds (distance) C4'-P energy: -125.376 bonds (distance) P-C4' energy: -151.774 flat angles C4'-P-C4' energy: -144.167 flat angles P-C4'-P energy: -92.483 tors. eta vs tors. theta energy: -157.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1983.394316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.394316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.394316 (E_RNA) where: Base-Base interactions energy: -1304.525 where: short stacking energy: -580.137 Base-Backbone interact. energy: -3.492 local terms energy: -675.977600 where: bonds (distance) C4'-P energy: -131.988 bonds (distance) P-C4' energy: -138.027 flat angles C4'-P-C4' energy: -146.745 flat angles P-C4'-P energy: -106.257 tors. eta vs tors. theta energy: -152.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.600 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1710.073313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.073313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.073313 (E_RNA) where: Base-Base interactions energy: -1132.757 where: short stacking energy: -510.765 Base-Backbone interact. energy: -1.291 local terms energy: -576.025361 where: bonds (distance) C4'-P energy: -101.520 bonds (distance) P-C4' energy: -139.642 flat angles C4'-P-C4' energy: -134.727 flat angles P-C4'-P energy: -85.360 tors. eta vs tors. theta energy: -114.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1574.944905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.944905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.944905 (E_RNA) where: Base-Base interactions energy: -1040.534 where: short stacking energy: -475.652 Base-Backbone interact. energy: 0.160 local terms energy: -534.570659 where: bonds (distance) C4'-P energy: -121.183 bonds (distance) P-C4' energy: -114.400 flat angles C4'-P-C4' energy: -133.872 flat angles P-C4'-P energy: -57.837 tors. eta vs tors. theta energy: -107.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1302.705165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.705165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.705165 (E_RNA) where: Base-Base interactions energy: -749.029 where: short stacking energy: -359.061 Base-Backbone interact. energy: 0.385 local terms energy: -554.151202 where: bonds (distance) C4'-P energy: -141.218 bonds (distance) P-C4' energy: -136.637 flat angles C4'-P-C4' energy: -125.995 flat angles P-C4'-P energy: -76.439 tors. eta vs tors. theta energy: -73.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.090 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1024.022402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.022402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.022402 (E_RNA) where: Base-Base interactions energy: -557.273 where: short stacking energy: -283.499 Base-Backbone interact. energy: -0.989 local terms energy: -465.760209 where: bonds (distance) C4'-P energy: -125.513 bonds (distance) P-C4' energy: -107.781 flat angles C4'-P-C4' energy: -123.751 flat angles P-C4'-P energy: -81.227 tors. eta vs tors. theta energy: -27.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -751.262416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.262416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.262416 (E_RNA) where: Base-Base interactions energy: -373.788 where: short stacking energy: -230.610 Base-Backbone interact. energy: 2.012 local terms energy: -379.486205 where: bonds (distance) C4'-P energy: -99.027 bonds (distance) P-C4' energy: -140.157 flat angles C4'-P-C4' energy: -95.525 flat angles P-C4'-P energy: -59.821 tors. eta vs tors. theta energy: 15.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2536.237256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.237256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.237256 (E_RNA) where: Base-Base interactions energy: -1710.963 where: short stacking energy: -773.961 Base-Backbone interact. energy: -1.091 local terms energy: -824.183504 where: bonds (distance) C4'-P energy: -147.313 bonds (distance) P-C4' energy: -148.851 flat angles C4'-P-C4' energy: -172.280 flat angles P-C4'-P energy: -121.126 tors. eta vs tors. theta energy: -234.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2323.552463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.552463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.552463 (E_RNA) where: Base-Base interactions energy: -1573.075 where: short stacking energy: -689.203 Base-Backbone interact. energy: -2.936 local terms energy: -747.541338 where: bonds (distance) C4'-P energy: -134.011 bonds (distance) P-C4' energy: -160.184 flat angles C4'-P-C4' energy: -163.520 flat angles P-C4'-P energy: -94.516 tors. eta vs tors. theta energy: -195.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2223.274657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.274657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.274657 (E_RNA) where: Base-Base interactions energy: -1501.372 where: short stacking energy: -668.916 Base-Backbone interact. energy: -1.253 local terms energy: -720.649668 where: bonds (distance) C4'-P energy: -126.080 bonds (distance) P-C4' energy: -148.700 flat angles C4'-P-C4' energy: -153.144 flat angles P-C4'-P energy: -97.006 tors. eta vs tors. theta energy: -195.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2098.619558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.619558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.619558 (E_RNA) where: Base-Base interactions energy: -1422.446 where: short stacking energy: -586.091 Base-Backbone interact. energy: -1.389 local terms energy: -674.784256 where: bonds (distance) C4'-P energy: -147.213 bonds (distance) P-C4' energy: -144.477 flat angles C4'-P-C4' energy: -140.746 flat angles P-C4'-P energy: -92.209 tors. eta vs tors. theta energy: -150.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1947.534721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.534721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.534721 (E_RNA) where: Base-Base interactions energy: -1332.511 where: short stacking energy: -561.578 Base-Backbone interact. energy: 2.519 local terms energy: -617.542752 where: bonds (distance) C4'-P energy: -130.655 bonds (distance) P-C4' energy: -119.583 flat angles C4'-P-C4' energy: -144.425 flat angles P-C4'-P energy: -92.326 tors. eta vs tors. theta energy: -130.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1711.668659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.668659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.668659 (E_RNA) where: Base-Base interactions energy: -1098.318 where: short stacking energy: -495.494 Base-Backbone interact. energy: -4.727 local terms energy: -608.623983 where: bonds (distance) C4'-P energy: -122.207 bonds (distance) P-C4' energy: -138.835 flat angles C4'-P-C4' energy: -134.682 flat angles P-C4'-P energy: -96.179 tors. eta vs tors. theta energy: -116.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1569.362903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.362903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.362903 (E_RNA) where: Base-Base interactions energy: -985.437 where: short stacking energy: -451.609 Base-Backbone interact. energy: 5.585 local terms energy: -589.510196 where: bonds (distance) C4'-P energy: -117.608 bonds (distance) P-C4' energy: -126.250 flat angles C4'-P-C4' energy: -146.737 flat angles P-C4'-P energy: -91.568 tors. eta vs tors. theta energy: -107.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1223.285049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.285049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.285049 (E_RNA) where: Base-Base interactions energy: -725.326 where: short stacking energy: -356.892 Base-Backbone interact. energy: -2.717 local terms energy: -495.242511 where: bonds (distance) C4'-P energy: -126.010 bonds (distance) P-C4' energy: -131.464 flat angles C4'-P-C4' energy: -118.472 flat angles P-C4'-P energy: -73.584 tors. eta vs tors. theta energy: -45.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -941.819887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.819887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.819887 (E_RNA) where: Base-Base interactions energy: -484.482 where: short stacking energy: -221.792 Base-Backbone interact. energy: 6.566 local terms energy: -463.903849 where: bonds (distance) C4'-P energy: -125.606 bonds (distance) P-C4' energy: -135.759 flat angles C4'-P-C4' energy: -116.118 flat angles P-C4'-P energy: -79.566 tors. eta vs tors. theta energy: -6.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -722.699514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.699514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.699514 (E_RNA) where: Base-Base interactions energy: -325.612 where: short stacking energy: -204.927 Base-Backbone interact. energy: 7.901 local terms energy: -404.988627 where: bonds (distance) C4'-P energy: -122.821 bonds (distance) P-C4' energy: -128.183 flat angles C4'-P-C4' energy: -107.030 flat angles P-C4'-P energy: -43.917 tors. eta vs tors. theta energy: -3.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2518.176479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.176479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.176479 (E_RNA) where: Base-Base interactions energy: -1696.378 where: short stacking energy: -751.602 Base-Backbone interact. energy: -4.963 local terms energy: -816.835912 where: bonds (distance) C4'-P energy: -144.620 bonds (distance) P-C4' energy: -159.947 flat angles C4'-P-C4' energy: -163.420 flat angles P-C4'-P energy: -121.607 tors. eta vs tors. theta energy: -227.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2342.825846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.825846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.825846 (E_RNA) where: Base-Base interactions energy: -1560.475 where: short stacking energy: -698.364 Base-Backbone interact. energy: 0.767 local terms energy: -783.117859 where: bonds (distance) C4'-P energy: -146.353 bonds (distance) P-C4' energy: -165.444 flat angles C4'-P-C4' energy: -168.550 flat angles P-C4'-P energy: -111.531 tors. eta vs tors. theta energy: -191.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2233.161651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.161651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.161651 (E_RNA) where: Base-Base interactions energy: -1508.954 where: short stacking energy: -644.883 Base-Backbone interact. energy: -1.375 local terms energy: -722.832712 where: bonds (distance) C4'-P energy: -140.440 bonds (distance) P-C4' energy: -135.916 flat angles C4'-P-C4' energy: -158.929 flat angles P-C4'-P energy: -100.645 tors. eta vs tors. theta energy: -186.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2190.722118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.722118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.722118 (E_RNA) where: Base-Base interactions energy: -1468.980 where: short stacking energy: -610.322 Base-Backbone interact. energy: -2.685 local terms energy: -719.057183 where: bonds (distance) C4'-P energy: -148.290 bonds (distance) P-C4' energy: -131.111 flat angles C4'-P-C4' energy: -155.750 flat angles P-C4'-P energy: -105.300 tors. eta vs tors. theta energy: -178.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1966.869900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.869900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.869900 (E_RNA) where: Base-Base interactions energy: -1345.999 where: short stacking energy: -613.645 Base-Backbone interact. energy: -1.957 local terms energy: -618.913688 where: bonds (distance) C4'-P energy: -107.027 bonds (distance) P-C4' energy: -110.788 flat angles C4'-P-C4' energy: -153.474 flat angles P-C4'-P energy: -101.507 tors. eta vs tors. theta energy: -146.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1756.713814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.713814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.713814 (E_RNA) where: Base-Base interactions energy: -1125.973 where: short stacking energy: -504.211 Base-Backbone interact. energy: 0.823 local terms energy: -631.563238 where: bonds (distance) C4'-P energy: -144.223 bonds (distance) P-C4' energy: -133.590 flat angles C4'-P-C4' energy: -141.708 flat angles P-C4'-P energy: -85.500 tors. eta vs tors. theta energy: -126.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1599.010422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.010422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.010422 (E_RNA) where: Base-Base interactions energy: -1017.342 where: short stacking energy: -465.525 Base-Backbone interact. energy: 0.304 local terms energy: -581.972411 where: bonds (distance) C4'-P energy: -124.578 bonds (distance) P-C4' energy: -139.808 flat angles C4'-P-C4' energy: -125.705 flat angles P-C4'-P energy: -81.589 tors. eta vs tors. theta energy: -110.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1265.209914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.209914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.209914 (E_RNA) where: Base-Base interactions energy: -792.046 where: short stacking energy: -388.215 Base-Backbone interact. energy: 2.699 local terms energy: -475.862943 where: bonds (distance) C4'-P energy: -121.016 bonds (distance) P-C4' energy: -119.749 flat angles C4'-P-C4' energy: -112.803 flat angles P-C4'-P energy: -66.460 tors. eta vs tors. theta energy: -55.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -968.623741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.623741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.623741 (E_RNA) where: Base-Base interactions energy: -551.078 where: short stacking energy: -306.113 Base-Backbone interact. energy: -1.597 local terms energy: -415.948606 where: bonds (distance) C4'-P energy: -81.158 bonds (distance) P-C4' energy: -123.812 flat angles C4'-P-C4' energy: -120.353 flat angles P-C4'-P energy: -78.982 tors. eta vs tors. theta energy: -11.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -789.441880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.441880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.441880 (E_RNA) where: Base-Base interactions energy: -368.177 where: short stacking energy: -243.377 Base-Backbone interact. energy: 2.613 local terms energy: -423.877932 where: bonds (distance) C4'-P energy: -123.503 bonds (distance) P-C4' energy: -119.980 flat angles C4'-P-C4' energy: -108.159 flat angles P-C4'-P energy: -76.823 tors. eta vs tors. theta energy: 4.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2509.836128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.836128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.836128 (E_RNA) where: Base-Base interactions energy: -1683.889 where: short stacking energy: -753.584 Base-Backbone interact. energy: -2.556 local terms energy: -823.391630 where: bonds (distance) C4'-P energy: -154.436 bonds (distance) P-C4' energy: -162.950 flat angles C4'-P-C4' energy: -165.853 flat angles P-C4'-P energy: -112.643 tors. eta vs tors. theta energy: -227.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2337.432147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.432147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.432147 (E_RNA) where: Base-Base interactions energy: -1610.027 where: short stacking energy: -684.621 Base-Backbone interact. energy: -4.824 local terms energy: -722.581120 where: bonds (distance) C4'-P energy: -130.838 bonds (distance) P-C4' energy: -145.061 flat angles C4'-P-C4' energy: -162.143 flat angles P-C4'-P energy: -98.920 tors. eta vs tors. theta energy: -185.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2234.046077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.046077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.046077 (E_RNA) where: Base-Base interactions energy: -1520.975 where: short stacking energy: -662.498 Base-Backbone interact. energy: -2.587 local terms energy: -710.484347 where: bonds (distance) C4'-P energy: -122.672 bonds (distance) P-C4' energy: -146.970 flat angles C4'-P-C4' energy: -143.174 flat angles P-C4'-P energy: -107.565 tors. eta vs tors. theta energy: -190.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2135.582027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.582027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.582027 (E_RNA) where: Base-Base interactions energy: -1452.653 where: short stacking energy: -635.037 Base-Backbone interact. energy: 2.472 local terms energy: -685.400589 where: bonds (distance) C4'-P energy: -140.621 bonds (distance) P-C4' energy: -135.723 flat angles C4'-P-C4' energy: -153.653 flat angles P-C4'-P energy: -93.955 tors. eta vs tors. theta energy: -161.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1934.863891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.863891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.863891 (E_RNA) where: Base-Base interactions energy: -1279.126 where: short stacking energy: -568.552 Base-Backbone interact. energy: 0.841 local terms energy: -656.578849 where: bonds (distance) C4'-P energy: -128.353 bonds (distance) P-C4' energy: -118.674 flat angles C4'-P-C4' energy: -163.891 flat angles P-C4'-P energy: -98.458 tors. eta vs tors. theta energy: -147.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1837.749205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.749205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.749205 (E_RNA) where: Base-Base interactions energy: -1208.935 where: short stacking energy: -508.936 Base-Backbone interact. energy: -0.343 local terms energy: -628.471570 where: bonds (distance) C4'-P energy: -136.012 bonds (distance) P-C4' energy: -141.917 flat angles C4'-P-C4' energy: -144.100 flat angles P-C4'-P energy: -75.330 tors. eta vs tors. theta energy: -131.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1588.347455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.347455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.347455 (E_RNA) where: Base-Base interactions energy: -1054.051 where: short stacking energy: -471.232 Base-Backbone interact. energy: -2.463 local terms energy: -531.833433 where: bonds (distance) C4'-P energy: -104.136 bonds (distance) P-C4' energy: -118.723 flat angles C4'-P-C4' energy: -137.909 flat angles P-C4'-P energy: -73.358 tors. eta vs tors. theta energy: -97.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1235.019152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.019152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.019152 (E_RNA) where: Base-Base interactions energy: -763.268 where: short stacking energy: -355.214 Base-Backbone interact. energy: -1.149 local terms energy: -470.601980 where: bonds (distance) C4'-P energy: -117.981 bonds (distance) P-C4' energy: -106.489 flat angles C4'-P-C4' energy: -123.123 flat angles P-C4'-P energy: -83.291 tors. eta vs tors. theta energy: -39.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -927.306059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.306059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.306059 (E_RNA) where: Base-Base interactions energy: -466.870 where: short stacking energy: -252.362 Base-Backbone interact. energy: 5.534 local terms energy: -465.969672 where: bonds (distance) C4'-P energy: -118.123 bonds (distance) P-C4' energy: -127.060 flat angles C4'-P-C4' energy: -104.661 flat angles P-C4'-P energy: -84.903 tors. eta vs tors. theta energy: -31.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -705.023992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.023992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.023992 (E_RNA) where: Base-Base interactions energy: -290.974 where: short stacking energy: -190.829 Base-Backbone interact. energy: -1.283 local terms energy: -412.766989 where: bonds (distance) C4'-P energy: -129.212 bonds (distance) P-C4' energy: -118.766 flat angles C4'-P-C4' energy: -108.165 flat angles P-C4'-P energy: -59.584 tors. eta vs tors. theta energy: 2.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2502.171729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.171729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.171729 (E_RNA) where: Base-Base interactions energy: -1679.184 where: short stacking energy: -772.012 Base-Backbone interact. energy: -3.033 local terms energy: -819.954297 where: bonds (distance) C4'-P energy: -156.701 bonds (distance) P-C4' energy: -148.732 flat angles C4'-P-C4' energy: -172.404 flat angles P-C4'-P energy: -110.502 tors. eta vs tors. theta energy: -231.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2356.556193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.556193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.556193 (E_RNA) where: Base-Base interactions energy: -1599.297 where: short stacking energy: -681.018 Base-Backbone interact. energy: -0.128 local terms energy: -757.131512 where: bonds (distance) C4'-P energy: -142.543 bonds (distance) P-C4' energy: -154.660 flat angles C4'-P-C4' energy: -165.976 flat angles P-C4'-P energy: -107.077 tors. eta vs tors. theta energy: -186.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2204.063953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.063953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.063953 (E_RNA) where: Base-Base interactions energy: -1513.403 where: short stacking energy: -637.959 Base-Backbone interact. energy: -1.495 local terms energy: -689.165377 where: bonds (distance) C4'-P energy: -141.441 bonds (distance) P-C4' energy: -140.024 flat angles C4'-P-C4' energy: -148.821 flat angles P-C4'-P energy: -99.106 tors. eta vs tors. theta energy: -159.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2075.303143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.303143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.303143 (E_RNA) where: Base-Base interactions energy: -1391.590 where: short stacking energy: -638.241 Base-Backbone interact. energy: -2.946 local terms energy: -680.767283 where: bonds (distance) C4'-P energy: -131.334 bonds (distance) P-C4' energy: -128.686 flat angles C4'-P-C4' energy: -157.632 flat angles P-C4'-P energy: -89.437 tors. eta vs tors. theta energy: -173.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1921.660775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.660775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.660775 (E_RNA) where: Base-Base interactions energy: -1279.716 where: short stacking energy: -573.900 Base-Backbone interact. energy: -0.088 local terms energy: -641.856824 where: bonds (distance) C4'-P energy: -122.277 bonds (distance) P-C4' energy: -141.434 flat angles C4'-P-C4' energy: -147.085 flat angles P-C4'-P energy: -92.701 tors. eta vs tors. theta energy: -138.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1828.955871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.955871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.955871 (E_RNA) where: Base-Base interactions energy: -1228.940 where: short stacking energy: -514.714 Base-Backbone interact. energy: -3.636 local terms energy: -596.380080 where: bonds (distance) C4'-P energy: -128.906 bonds (distance) P-C4' energy: -129.669 flat angles C4'-P-C4' energy: -130.122 flat angles P-C4'-P energy: -89.301 tors. eta vs tors. theta energy: -118.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1649.744663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.744663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.744663 (E_RNA) where: Base-Base interactions energy: -1072.314 where: short stacking energy: -475.520 Base-Backbone interact. energy: -1.897 local terms energy: -575.533182 where: bonds (distance) C4'-P energy: -126.506 bonds (distance) P-C4' energy: -131.593 flat angles C4'-P-C4' energy: -139.295 flat angles P-C4'-P energy: -79.147 tors. eta vs tors. theta energy: -98.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1194.464354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.464354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.464354 (E_RNA) where: Base-Base interactions energy: -706.845 where: short stacking energy: -352.693 Base-Backbone interact. energy: 2.632 local terms energy: -490.251074 where: bonds (distance) C4'-P energy: -121.097 bonds (distance) P-C4' energy: -133.065 flat angles C4'-P-C4' energy: -112.480 flat angles P-C4'-P energy: -75.257 tors. eta vs tors. theta energy: -48.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -823.467369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.467369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.467369 (E_RNA) where: Base-Base interactions energy: -413.860 where: short stacking energy: -255.969 Base-Backbone interact. energy: 3.902 local terms energy: -413.509202 where: bonds (distance) C4'-P energy: -127.570 bonds (distance) P-C4' energy: -127.512 flat angles C4'-P-C4' energy: -87.954 flat angles P-C4'-P energy: -52.869 tors. eta vs tors. theta energy: -17.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -692.657023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.657023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.657023 (E_RNA) where: Base-Base interactions energy: -339.879 where: short stacking energy: -207.539 Base-Backbone interact. energy: 2.738 local terms energy: -355.516628 where: bonds (distance) C4'-P energy: -94.241 bonds (distance) P-C4' energy: -117.285 flat angles C4'-P-C4' energy: -113.509 flat angles P-C4'-P energy: -41.475 tors. eta vs tors. theta energy: 10.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2497.523406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.523406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.523406 (E_RNA) where: Base-Base interactions energy: -1668.976 where: short stacking energy: -772.697 Base-Backbone interact. energy: -4.739 local terms energy: -823.808163 where: bonds (distance) C4'-P energy: -156.565 bonds (distance) P-C4' energy: -143.904 flat angles C4'-P-C4' energy: -170.212 flat angles P-C4'-P energy: -123.960 tors. eta vs tors. theta energy: -229.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2331.809451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.809451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.809451 (E_RNA) where: Base-Base interactions energy: -1588.644 where: short stacking energy: -672.778 Base-Backbone interact. energy: -1.866 local terms energy: -741.298683 where: bonds (distance) C4'-P energy: -157.678 bonds (distance) P-C4' energy: -149.369 flat angles C4'-P-C4' energy: -151.744 flat angles P-C4'-P energy: -99.962 tors. eta vs tors. theta energy: -182.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2227.098929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.098929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.098929 (E_RNA) where: Base-Base interactions energy: -1523.481 where: short stacking energy: -647.084 Base-Backbone interact. energy: -4.725 local terms energy: -698.892960 where: bonds (distance) C4'-P energy: -139.667 bonds (distance) P-C4' energy: -131.600 flat angles C4'-P-C4' energy: -157.041 flat angles P-C4'-P energy: -102.786 tors. eta vs tors. theta energy: -167.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2114.994086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.994086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.994086 (E_RNA) where: Base-Base interactions energy: -1432.934 where: short stacking energy: -597.802 Base-Backbone interact. energy: -1.293 local terms energy: -680.767305 where: bonds (distance) C4'-P energy: -135.799 bonds (distance) P-C4' energy: -126.592 flat angles C4'-P-C4' energy: -157.988 flat angles P-C4'-P energy: -101.734 tors. eta vs tors. theta energy: -158.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1973.612830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.612830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.612830 (E_RNA) where: Base-Base interactions energy: -1323.926 where: short stacking energy: -608.852 Base-Backbone interact. energy: -0.872 local terms energy: -648.814549 where: bonds (distance) C4'-P energy: -131.768 bonds (distance) P-C4' energy: -126.267 flat angles C4'-P-C4' energy: -143.510 flat angles P-C4'-P energy: -81.883 tors. eta vs tors. theta energy: -165.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1866.265757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.265757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.265757 (E_RNA) where: Base-Base interactions energy: -1268.044 where: short stacking energy: -570.960 Base-Backbone interact. energy: 3.337 local terms energy: -601.558574 where: bonds (distance) C4'-P energy: -125.029 bonds (distance) P-C4' energy: -120.505 flat angles C4'-P-C4' energy: -122.417 flat angles P-C4'-P energy: -85.882 tors. eta vs tors. theta energy: -147.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1614.558727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.558727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.558727 (E_RNA) where: Base-Base interactions energy: -1027.768 where: short stacking energy: -497.016 Base-Backbone interact. energy: -0.904 local terms energy: -585.887260 where: bonds (distance) C4'-P energy: -118.286 bonds (distance) P-C4' energy: -140.362 flat angles C4'-P-C4' energy: -123.984 flat angles P-C4'-P energy: -75.399 tors. eta vs tors. theta energy: -127.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1158.407058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.407058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.407058 (E_RNA) where: Base-Base interactions energy: -689.949 where: short stacking energy: -311.843 Base-Backbone interact. energy: 1.553 local terms energy: -470.011129 where: bonds (distance) C4'-P energy: -116.622 bonds (distance) P-C4' energy: -143.687 flat angles C4'-P-C4' energy: -118.519 flat angles P-C4'-P energy: -56.268 tors. eta vs tors. theta energy: -34.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -842.492239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.492239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.492239 (E_RNA) where: Base-Base interactions energy: -415.646 where: short stacking energy: -220.841 Base-Backbone interact. energy: -0.524 local terms energy: -426.321707 where: bonds (distance) C4'-P energy: -129.016 bonds (distance) P-C4' energy: -147.114 flat angles C4'-P-C4' energy: -98.028 flat angles P-C4'-P energy: -56.543 tors. eta vs tors. theta energy: 4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -746.449057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.449057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.449057 (E_RNA) where: Base-Base interactions energy: -337.249 where: short stacking energy: -198.067 Base-Backbone interact. energy: -0.321 local terms energy: -408.879261 where: bonds (distance) C4'-P energy: -109.340 bonds (distance) P-C4' energy: -122.880 flat angles C4'-P-C4' energy: -113.765 flat angles P-C4'-P energy: -65.849 tors. eta vs tors. theta energy: 2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2474.253572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.253572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.253572 (E_RNA) where: Base-Base interactions energy: -1674.516 where: short stacking energy: -774.494 Base-Backbone interact. energy: -1.094 local terms energy: -798.643767 where: bonds (distance) C4'-P energy: -140.786 bonds (distance) P-C4' energy: -154.439 flat angles C4'-P-C4' energy: -175.184 flat angles P-C4'-P energy: -105.323 tors. eta vs tors. theta energy: -222.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2297.788055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.788055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.788055 (E_RNA) where: Base-Base interactions energy: -1559.508 where: short stacking energy: -667.817 Base-Backbone interact. energy: -0.081 local terms energy: -738.198937 where: bonds (distance) C4'-P energy: -145.808 bonds (distance) P-C4' energy: -134.969 flat angles C4'-P-C4' energy: -162.107 flat angles P-C4'-P energy: -112.366 tors. eta vs tors. theta energy: -182.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2193.034637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.034637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.034637 (E_RNA) where: Base-Base interactions energy: -1483.330 where: short stacking energy: -649.552 Base-Backbone interact. energy: -1.547 local terms energy: -708.157677 where: bonds (distance) C4'-P energy: -135.360 bonds (distance) P-C4' energy: -149.321 flat angles C4'-P-C4' energy: -153.089 flat angles P-C4'-P energy: -104.387 tors. eta vs tors. theta energy: -166.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2155.456927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.456927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.456927 (E_RNA) where: Base-Base interactions energy: -1450.032 where: short stacking energy: -615.276 Base-Backbone interact. energy: 1.405 local terms energy: -706.830026 where: bonds (distance) C4'-P energy: -119.908 bonds (distance) P-C4' energy: -154.809 flat angles C4'-P-C4' energy: -143.719 flat angles P-C4'-P energy: -106.386 tors. eta vs tors. theta energy: -182.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1976.385874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.385874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.385874 (E_RNA) where: Base-Base interactions energy: -1343.787 where: short stacking energy: -597.520 Base-Backbone interact. energy: 3.827 local terms energy: -636.770942 where: bonds (distance) C4'-P energy: -118.239 bonds (distance) P-C4' energy: -137.542 flat angles C4'-P-C4' energy: -142.754 flat angles P-C4'-P energy: -93.261 tors. eta vs tors. theta energy: -144.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.345 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1897.329666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.329666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.329666 (E_RNA) where: Base-Base interactions energy: -1256.774 where: short stacking energy: -547.251 Base-Backbone interact. energy: -3.422 local terms energy: -637.133027 where: bonds (distance) C4'-P energy: -111.456 bonds (distance) P-C4' energy: -123.527 flat angles C4'-P-C4' energy: -153.115 flat angles P-C4'-P energy: -94.629 tors. eta vs tors. theta energy: -154.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1651.440622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.440622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.440622 (E_RNA) where: Base-Base interactions energy: -1073.312 where: short stacking energy: -466.521 Base-Backbone interact. energy: -3.052 local terms energy: -575.076922 where: bonds (distance) C4'-P energy: -121.554 bonds (distance) P-C4' energy: -122.967 flat angles C4'-P-C4' energy: -133.769 flat angles P-C4'-P energy: -95.213 tors. eta vs tors. theta energy: -101.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1155.348513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.348513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.348513 (E_RNA) where: Base-Base interactions energy: -669.452 where: short stacking energy: -332.426 Base-Backbone interact. energy: 5.661 local terms energy: -491.558068 where: bonds (distance) C4'-P energy: -113.612 bonds (distance) P-C4' energy: -141.331 flat angles C4'-P-C4' energy: -125.466 flat angles P-C4'-P energy: -61.450 tors. eta vs tors. theta energy: -49.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -856.236268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.236268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.236268 (E_RNA) where: Base-Base interactions energy: -408.144 where: short stacking energy: -237.313 Base-Backbone interact. energy: -1.202 local terms energy: -446.890096 where: bonds (distance) C4'-P energy: -116.493 bonds (distance) P-C4' energy: -123.927 flat angles C4'-P-C4' energy: -111.015 flat angles P-C4'-P energy: -70.291 tors. eta vs tors. theta energy: -25.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -659.387535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.387535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.387535 (E_RNA) where: Base-Base interactions energy: -304.851 where: short stacking energy: -185.298 Base-Backbone interact. energy: 3.809 local terms energy: -358.345661 where: bonds (distance) C4'-P energy: -100.207 bonds (distance) P-C4' energy: -117.659 flat angles C4'-P-C4' energy: -93.903 flat angles P-C4'-P energy: -56.682 tors. eta vs tors. theta energy: 10.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2484.421373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.421373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.421373 (E_RNA) where: Base-Base interactions energy: -1684.755 where: short stacking energy: -735.940 Base-Backbone interact. energy: -1.788 local terms energy: -797.878124 where: bonds (distance) C4'-P energy: -144.217 bonds (distance) P-C4' energy: -150.460 flat angles C4'-P-C4' energy: -168.617 flat angles P-C4'-P energy: -118.777 tors. eta vs tors. theta energy: -215.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2359.870954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.870954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.870954 (E_RNA) where: Base-Base interactions energy: -1627.693 where: short stacking energy: -635.280 Base-Backbone interact. energy: -4.314 local terms energy: -727.864654 where: bonds (distance) C4'-P energy: -128.935 bonds (distance) P-C4' energy: -141.252 flat angles C4'-P-C4' energy: -178.664 flat angles P-C4'-P energy: -99.385 tors. eta vs tors. theta energy: -179.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2205.628501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.628501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.628501 (E_RNA) where: Base-Base interactions energy: -1523.201 where: short stacking energy: -643.576 Base-Backbone interact. energy: -3.063 local terms energy: -679.363785 where: bonds (distance) C4'-P energy: -132.728 bonds (distance) P-C4' energy: -125.116 flat angles C4'-P-C4' energy: -150.280 flat angles P-C4'-P energy: -99.509 tors. eta vs tors. theta energy: -171.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2168.352209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.352209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.352209 (E_RNA) where: Base-Base interactions energy: -1464.162 where: short stacking energy: -619.464 Base-Backbone interact. energy: -0.073 local terms energy: -704.116950 where: bonds (distance) C4'-P energy: -142.391 bonds (distance) P-C4' energy: -136.317 flat angles C4'-P-C4' energy: -161.184 flat angles P-C4'-P energy: -89.821 tors. eta vs tors. theta energy: -174.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1963.616789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.616789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.616789 (E_RNA) where: Base-Base interactions energy: -1316.277 where: short stacking energy: -551.835 Base-Backbone interact. energy: 10.458 local terms energy: -657.797485 where: bonds (distance) C4'-P energy: -119.558 bonds (distance) P-C4' energy: -136.462 flat angles C4'-P-C4' energy: -150.156 flat angles P-C4'-P energy: -115.320 tors. eta vs tors. theta energy: -136.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1887.175550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.175550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.175550 (E_RNA) where: Base-Base interactions energy: -1261.576 where: short stacking energy: -562.110 Base-Backbone interact. energy: -3.418 local terms energy: -622.181511 where: bonds (distance) C4'-P energy: -131.790 bonds (distance) P-C4' energy: -122.468 flat angles C4'-P-C4' energy: -142.863 flat angles P-C4'-P energy: -82.172 tors. eta vs tors. theta energy: -142.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1650.437483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.437483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.437483 (E_RNA) where: Base-Base interactions energy: -1074.949 where: short stacking energy: -475.410 Base-Backbone interact. energy: -1.064 local terms energy: -574.424420 where: bonds (distance) C4'-P energy: -119.089 bonds (distance) P-C4' energy: -118.066 flat angles C4'-P-C4' energy: -134.300 flat angles P-C4'-P energy: -86.590 tors. eta vs tors. theta energy: -116.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1111.983418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.983418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.983418 (E_RNA) where: Base-Base interactions energy: -674.735 where: short stacking energy: -317.179 Base-Backbone interact. energy: -0.703 local terms energy: -436.545563 where: bonds (distance) C4'-P energy: -119.163 bonds (distance) P-C4' energy: -125.756 flat angles C4'-P-C4' energy: -110.746 flat angles P-C4'-P energy: -56.786 tors. eta vs tors. theta energy: -24.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -810.276062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.276062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.276062 (E_RNA) where: Base-Base interactions energy: -403.446 where: short stacking energy: -237.874 Base-Backbone interact. energy: -1.565 local terms energy: -405.264638 where: bonds (distance) C4'-P energy: -115.274 bonds (distance) P-C4' energy: -111.974 flat angles C4'-P-C4' energy: -113.781 flat angles P-C4'-P energy: -67.641 tors. eta vs tors. theta energy: 3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -674.394234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.394234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.394234 (E_RNA) where: Base-Base interactions energy: -309.732 where: short stacking energy: -180.106 Base-Backbone interact. energy: 3.767 local terms energy: -368.428916 where: bonds (distance) C4'-P energy: -126.215 bonds (distance) P-C4' energy: -115.663 flat angles C4'-P-C4' energy: -99.245 flat angles P-C4'-P energy: -53.488 tors. eta vs tors. theta energy: 26.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2468.031514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.031514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.031514 (E_RNA) where: Base-Base interactions energy: -1679.631 where: short stacking energy: -726.794 Base-Backbone interact. energy: -0.355 local terms energy: -788.046247 where: bonds (distance) C4'-P energy: -148.279 bonds (distance) P-C4' energy: -164.931 flat angles C4'-P-C4' energy: -161.227 flat angles P-C4'-P energy: -110.867 tors. eta vs tors. theta energy: -202.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2348.608462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.608462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.608462 (E_RNA) where: Base-Base interactions energy: -1606.699 where: short stacking energy: -679.797 Base-Backbone interact. energy: 1.396 local terms energy: -743.305120 where: bonds (distance) C4'-P energy: -142.030 bonds (distance) P-C4' energy: -152.364 flat angles C4'-P-C4' energy: -149.429 flat angles P-C4'-P energy: -109.720 tors. eta vs tors. theta energy: -189.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2155.388381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.388381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.388381 (E_RNA) where: Base-Base interactions energy: -1465.027 where: short stacking energy: -629.124 Base-Backbone interact. energy: -4.217 local terms energy: -686.144994 where: bonds (distance) C4'-P energy: -132.982 bonds (distance) P-C4' energy: -141.661 flat angles C4'-P-C4' energy: -151.127 flat angles P-C4'-P energy: -93.765 tors. eta vs tors. theta energy: -166.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2157.035116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.035116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.035116 (E_RNA) where: Base-Base interactions energy: -1456.515 where: short stacking energy: -623.943 Base-Backbone interact. energy: -2.931 local terms energy: -697.588566 where: bonds (distance) C4'-P energy: -133.548 bonds (distance) P-C4' energy: -141.804 flat angles C4'-P-C4' energy: -146.333 flat angles P-C4'-P energy: -93.176 tors. eta vs tors. theta energy: -182.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1952.506881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.506881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.506881 (E_RNA) where: Base-Base interactions energy: -1283.862 where: short stacking energy: -570.368 Base-Backbone interact. energy: -1.939 local terms energy: -666.705741 where: bonds (distance) C4'-P energy: -140.455 bonds (distance) P-C4' energy: -133.607 flat angles C4'-P-C4' energy: -152.377 flat angles P-C4'-P energy: -83.417 tors. eta vs tors. theta energy: -156.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1931.692782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.692782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.692782 (E_RNA) where: Base-Base interactions energy: -1311.408 where: short stacking energy: -587.240 Base-Backbone interact. energy: -2.777 local terms energy: -617.507640 where: bonds (distance) C4'-P energy: -111.198 bonds (distance) P-C4' energy: -133.083 flat angles C4'-P-C4' energy: -143.091 flat angles P-C4'-P energy: -81.937 tors. eta vs tors. theta energy: -148.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1639.358185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.358185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.358185 (E_RNA) where: Base-Base interactions energy: -1051.500 where: short stacking energy: -498.738 Base-Backbone interact. energy: 4.386 local terms energy: -592.244678 where: bonds (distance) C4'-P energy: -131.831 bonds (distance) P-C4' energy: -120.432 flat angles C4'-P-C4' energy: -131.897 flat angles P-C4'-P energy: -91.442 tors. eta vs tors. theta energy: -116.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1152.178131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.178131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.178131 (E_RNA) where: Base-Base interactions energy: -636.090 where: short stacking energy: -318.445 Base-Backbone interact. energy: -0.623 local terms energy: -515.465771 where: bonds (distance) C4'-P energy: -121.535 bonds (distance) P-C4' energy: -130.669 flat angles C4'-P-C4' energy: -134.331 flat angles P-C4'-P energy: -86.780 tors. eta vs tors. theta energy: -42.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -877.727161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.727161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.727161 (E_RNA) where: Base-Base interactions energy: -467.162 where: short stacking energy: -251.546 Base-Backbone interact. energy: -0.465 local terms energy: -410.099653 where: bonds (distance) C4'-P energy: -111.196 bonds (distance) P-C4' energy: -115.812 flat angles C4'-P-C4' energy: -92.970 flat angles P-C4'-P energy: -70.884 tors. eta vs tors. theta energy: -19.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -752.700534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.700534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.700534 (E_RNA) where: Base-Base interactions energy: -325.821 where: short stacking energy: -220.763 Base-Backbone interact. energy: -1.297 local terms energy: -425.582659 where: bonds (distance) C4'-P energy: -129.926 bonds (distance) P-C4' energy: -116.429 flat angles C4'-P-C4' energy: -119.391 flat angles P-C4'-P energy: -60.965 tors. eta vs tors. theta energy: 1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2482.161717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.161717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.161717 (E_RNA) where: Base-Base interactions energy: -1665.130 where: short stacking energy: -752.189 Base-Backbone interact. energy: -3.800 local terms energy: -813.231944 where: bonds (distance) C4'-P energy: -152.827 bonds (distance) P-C4' energy: -153.068 flat angles C4'-P-C4' energy: -168.236 flat angles P-C4'-P energy: -111.312 tors. eta vs tors. theta energy: -227.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2344.415719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.415719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.415719 (E_RNA) where: Base-Base interactions energy: -1623.007 where: short stacking energy: -680.461 Base-Backbone interact. energy: -1.536 local terms energy: -719.872030 where: bonds (distance) C4'-P energy: -136.828 bonds (distance) P-C4' energy: -141.622 flat angles C4'-P-C4' energy: -160.750 flat angles P-C4'-P energy: -98.655 tors. eta vs tors. theta energy: -182.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2215.123811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.123811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.123811 (E_RNA) where: Base-Base interactions energy: -1504.153 where: short stacking energy: -659.554 Base-Backbone interact. energy: -0.732 local terms energy: -710.238922 where: bonds (distance) C4'-P energy: -131.745 bonds (distance) P-C4' energy: -150.215 flat angles C4'-P-C4' energy: -147.264 flat angles P-C4'-P energy: -94.198 tors. eta vs tors. theta energy: -186.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2120.268368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.268368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.268368 (E_RNA) where: Base-Base interactions energy: -1429.547 where: short stacking energy: -589.580 Base-Backbone interact. energy: -2.133 local terms energy: -688.587472 where: bonds (distance) C4'-P energy: -134.004 bonds (distance) P-C4' energy: -143.706 flat angles C4'-P-C4' energy: -150.918 flat angles P-C4'-P energy: -92.429 tors. eta vs tors. theta energy: -167.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1950.234303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.234303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.234303 (E_RNA) where: Base-Base interactions energy: -1271.523 where: short stacking energy: -575.232 Base-Backbone interact. energy: -2.675 local terms energy: -676.036553 where: bonds (distance) C4'-P energy: -123.161 bonds (distance) P-C4' energy: -146.699 flat angles C4'-P-C4' energy: -158.848 flat angles P-C4'-P energy: -88.831 tors. eta vs tors. theta energy: -158.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1888.811944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.811944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.811944 (E_RNA) where: Base-Base interactions energy: -1236.630 where: short stacking energy: -563.412 Base-Backbone interact. energy: -5.181 local terms energy: -647.000994 where: bonds (distance) C4'-P energy: -124.932 bonds (distance) P-C4' energy: -150.235 flat angles C4'-P-C4' energy: -144.354 flat angles P-C4'-P energy: -90.234 tors. eta vs tors. theta energy: -137.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1630.019333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.019333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.019333 (E_RNA) where: Base-Base interactions energy: -1039.276 where: short stacking energy: -486.016 Base-Backbone interact. energy: 0.400 local terms energy: -591.143759 where: bonds (distance) C4'-P energy: -117.399 bonds (distance) P-C4' energy: -131.539 flat angles C4'-P-C4' energy: -145.630 flat angles P-C4'-P energy: -87.822 tors. eta vs tors. theta energy: -108.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1154.124145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.124145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.124145 (E_RNA) where: Base-Base interactions energy: -645.724 where: short stacking energy: -308.183 Base-Backbone interact. energy: 2.683 local terms energy: -511.083438 where: bonds (distance) C4'-P energy: -124.590 bonds (distance) P-C4' energy: -139.512 flat angles C4'-P-C4' energy: -134.340 flat angles P-C4'-P energy: -72.808 tors. eta vs tors. theta energy: -39.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -866.330253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.330253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.330253 (E_RNA) where: Base-Base interactions energy: -452.195 where: short stacking energy: -240.760 Base-Backbone interact. energy: 4.495 local terms energy: -418.630281 where: bonds (distance) C4'-P energy: -122.017 bonds (distance) P-C4' energy: -112.333 flat angles C4'-P-C4' energy: -117.283 flat angles P-C4'-P energy: -51.383 tors. eta vs tors. theta energy: -15.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -733.999463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.999463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.999463 (E_RNA) where: Base-Base interactions energy: -357.200 where: short stacking energy: -202.203 Base-Backbone interact. energy: 0.857 local terms energy: -377.655927 where: bonds (distance) C4'-P energy: -114.132 bonds (distance) P-C4' energy: -118.381 flat angles C4'-P-C4' energy: -103.962 flat angles P-C4'-P energy: -51.275 tors. eta vs tors. theta energy: 10.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2473.268899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.268899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.268899 (E_RNA) where: Base-Base interactions energy: -1685.050 where: short stacking energy: -744.399 Base-Backbone interact. energy: -1.211 local terms energy: -787.007584 where: bonds (distance) C4'-P energy: -147.721 bonds (distance) P-C4' energy: -147.021 flat angles C4'-P-C4' energy: -168.833 flat angles P-C4'-P energy: -104.069 tors. eta vs tors. theta energy: -219.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2329.210110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.210110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.210110 (E_RNA) where: Base-Base interactions energy: -1599.848 where: short stacking energy: -677.714 Base-Backbone interact. energy: 1.811 local terms energy: -731.173603 where: bonds (distance) C4'-P energy: -132.232 bonds (distance) P-C4' energy: -156.281 flat angles C4'-P-C4' energy: -158.434 flat angles P-C4'-P energy: -104.092 tors. eta vs tors. theta energy: -180.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2196.135394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.135394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.135394 (E_RNA) where: Base-Base interactions energy: -1486.760 where: short stacking energy: -647.498 Base-Backbone interact. energy: -1.069 local terms energy: -708.305540 where: bonds (distance) C4'-P energy: -131.682 bonds (distance) P-C4' energy: -144.601 flat angles C4'-P-C4' energy: -158.685 flat angles P-C4'-P energy: -95.679 tors. eta vs tors. theta energy: -177.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2166.168004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.168004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.168004 (E_RNA) where: Base-Base interactions energy: -1429.101 where: short stacking energy: -613.657 Base-Backbone interact. energy: -4.131 local terms energy: -732.935620 where: bonds (distance) C4'-P energy: -130.951 bonds (distance) P-C4' energy: -153.588 flat angles C4'-P-C4' energy: -164.678 flat angles P-C4'-P energy: -106.524 tors. eta vs tors. theta energy: -177.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2001.264312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.264312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.264312 (E_RNA) where: Base-Base interactions energy: -1344.592 where: short stacking energy: -590.634 Base-Backbone interact. energy: -0.816 local terms energy: -655.856372 where: bonds (distance) C4'-P energy: -126.354 bonds (distance) P-C4' energy: -122.445 flat angles C4'-P-C4' energy: -151.166 flat angles P-C4'-P energy: -99.529 tors. eta vs tors. theta energy: -156.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1866.540828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.540828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.540828 (E_RNA) where: Base-Base interactions energy: -1226.914 where: short stacking energy: -540.292 Base-Backbone interact. energy: -2.735 local terms energy: -636.892235 where: bonds (distance) C4'-P energy: -123.079 bonds (distance) P-C4' energy: -135.845 flat angles C4'-P-C4' energy: -148.456 flat angles P-C4'-P energy: -92.248 tors. eta vs tors. theta energy: -137.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1622.176977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.176977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.176977 (E_RNA) where: Base-Base interactions energy: -1043.606 where: short stacking energy: -464.181 Base-Backbone interact. energy: -1.629 local terms energy: -576.941954 where: bonds (distance) C4'-P energy: -108.541 bonds (distance) P-C4' energy: -126.731 flat angles C4'-P-C4' energy: -146.922 flat angles P-C4'-P energy: -83.157 tors. eta vs tors. theta energy: -111.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1271.022247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.022247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.022247 (E_RNA) where: Base-Base interactions energy: -731.918 where: short stacking energy: -357.779 Base-Backbone interact. energy: -4.189 local terms energy: -534.915382 where: bonds (distance) C4'-P energy: -125.219 bonds (distance) P-C4' energy: -131.022 flat angles C4'-P-C4' energy: -140.754 flat angles P-C4'-P energy: -93.618 tors. eta vs tors. theta energy: -44.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -896.854592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.854592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.854592 (E_RNA) where: Base-Base interactions energy: -479.484 where: short stacking energy: -248.872 Base-Backbone interact. energy: -0.436 local terms energy: -416.934352 where: bonds (distance) C4'-P energy: -100.825 bonds (distance) P-C4' energy: -121.878 flat angles C4'-P-C4' energy: -101.185 flat angles P-C4'-P energy: -74.875 tors. eta vs tors. theta energy: -18.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -710.790395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.790395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.790395 (E_RNA) where: Base-Base interactions energy: -317.221 where: short stacking energy: -187.613 Base-Backbone interact. energy: -2.473 local terms energy: -391.096718 where: bonds (distance) C4'-P energy: -111.539 bonds (distance) P-C4' energy: -119.420 flat angles C4'-P-C4' energy: -112.219 flat angles P-C4'-P energy: -53.001 tors. eta vs tors. theta energy: 5.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2477.468475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.468475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.468475 (E_RNA) where: Base-Base interactions energy: -1664.126 where: short stacking energy: -736.052 Base-Backbone interact. energy: -3.279 local terms energy: -810.063196 where: bonds (distance) C4'-P energy: -156.541 bonds (distance) P-C4' energy: -155.047 flat angles C4'-P-C4' energy: -174.026 flat angles P-C4'-P energy: -99.179 tors. eta vs tors. theta energy: -225.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2326.570239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.570239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.570239 (E_RNA) where: Base-Base interactions energy: -1571.283 where: short stacking energy: -666.487 Base-Backbone interact. energy: 0.170 local terms energy: -755.457663 where: bonds (distance) C4'-P energy: -148.280 bonds (distance) P-C4' energy: -140.148 flat angles C4'-P-C4' energy: -173.886 flat angles P-C4'-P energy: -105.998 tors. eta vs tors. theta energy: -187.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2193.647180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.647180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.647180 (E_RNA) where: Base-Base interactions energy: -1466.209 where: short stacking energy: -613.284 Base-Backbone interact. energy: -3.488 local terms energy: -723.949820 where: bonds (distance) C4'-P energy: -146.620 bonds (distance) P-C4' energy: -146.571 flat angles C4'-P-C4' energy: -165.247 flat angles P-C4'-P energy: -95.686 tors. eta vs tors. theta energy: -169.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2152.773810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.773810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.773810 (E_RNA) where: Base-Base interactions energy: -1453.354 where: short stacking energy: -648.992 Base-Backbone interact. energy: 3.653 local terms energy: -703.071993 where: bonds (distance) C4'-P energy: -143.853 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -145.448 flat angles P-C4'-P energy: -102.694 tors. eta vs tors. theta energy: -174.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1966.493094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.493094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.493094 (E_RNA) where: Base-Base interactions energy: -1301.948 where: short stacking energy: -573.662 Base-Backbone interact. energy: -1.505 local terms energy: -663.040621 where: bonds (distance) C4'-P energy: -120.720 bonds (distance) P-C4' energy: -138.047 flat angles C4'-P-C4' energy: -149.484 flat angles P-C4'-P energy: -107.194 tors. eta vs tors. theta energy: -147.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1904.894476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.894476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.894476 (E_RNA) where: Base-Base interactions energy: -1256.596 where: short stacking energy: -563.063 Base-Backbone interact. energy: -2.628 local terms energy: -645.670521 where: bonds (distance) C4'-P energy: -124.517 bonds (distance) P-C4' energy: -135.719 flat angles C4'-P-C4' energy: -146.770 flat angles P-C4'-P energy: -85.541 tors. eta vs tors. theta energy: -153.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1682.792773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.792773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.792773 (E_RNA) where: Base-Base interactions energy: -1105.256 where: short stacking energy: -496.543 Base-Backbone interact. energy: -1.866 local terms energy: -575.670696 where: bonds (distance) C4'-P energy: -112.705 bonds (distance) P-C4' energy: -129.239 flat angles C4'-P-C4' energy: -135.760 flat angles P-C4'-P energy: -81.268 tors. eta vs tors. theta energy: -116.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1289.411583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.411583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.411583 (E_RNA) where: Base-Base interactions energy: -800.289 where: short stacking energy: -364.016 Base-Backbone interact. energy: 3.280 local terms energy: -492.402693 where: bonds (distance) C4'-P energy: -123.413 bonds (distance) P-C4' energy: -136.502 flat angles C4'-P-C4' energy: -103.790 flat angles P-C4'-P energy: -72.581 tors. eta vs tors. theta energy: -56.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -911.478836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.478836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.478836 (E_RNA) where: Base-Base interactions energy: -443.376 where: short stacking energy: -243.215 Base-Backbone interact. energy: -0.201 local terms energy: -467.901492 where: bonds (distance) C4'-P energy: -150.677 bonds (distance) P-C4' energy: -124.200 flat angles C4'-P-C4' energy: -110.833 flat angles P-C4'-P energy: -74.230 tors. eta vs tors. theta energy: -7.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -670.148710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.148710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.148710 (E_RNA) where: Base-Base interactions energy: -307.470 where: short stacking energy: -181.857 Base-Backbone interact. energy: 5.327 local terms energy: -368.005242 where: bonds (distance) C4'-P energy: -109.926 bonds (distance) P-C4' energy: -118.521 flat angles C4'-P-C4' energy: -116.070 flat angles P-C4'-P energy: -34.465 tors. eta vs tors. theta energy: 10.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2505.605990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.605990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.605990 (E_RNA) where: Base-Base interactions energy: -1703.745 where: short stacking energy: -717.928 Base-Backbone interact. energy: -3.283 local terms energy: -798.578303 where: bonds (distance) C4'-P energy: -159.305 bonds (distance) P-C4' energy: -146.897 flat angles C4'-P-C4' energy: -164.075 flat angles P-C4'-P energy: -105.654 tors. eta vs tors. theta energy: -222.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2398.942686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.942686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.942686 (E_RNA) where: Base-Base interactions energy: -1639.342 where: short stacking energy: -675.643 Base-Backbone interact. energy: -0.552 local terms energy: -759.047993 where: bonds (distance) C4'-P energy: -121.433 bonds (distance) P-C4' energy: -147.825 flat angles C4'-P-C4' energy: -176.517 flat angles P-C4'-P energy: -116.454 tors. eta vs tors. theta energy: -196.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2220.543003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.543003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.543003 (E_RNA) where: Base-Base interactions energy: -1532.456 where: short stacking energy: -635.971 Base-Backbone interact. energy: 8.782 local terms energy: -696.869450 where: bonds (distance) C4'-P energy: -141.087 bonds (distance) P-C4' energy: -129.709 flat angles C4'-P-C4' energy: -164.067 flat angles P-C4'-P energy: -105.902 tors. eta vs tors. theta energy: -156.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2115.079499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.079499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.079499 (E_RNA) where: Base-Base interactions energy: -1422.994 where: short stacking energy: -606.854 Base-Backbone interact. energy: 3.985 local terms energy: -696.070552 where: bonds (distance) C4'-P energy: -141.155 bonds (distance) P-C4' energy: -139.527 flat angles C4'-P-C4' energy: -151.091 flat angles P-C4'-P energy: -90.678 tors. eta vs tors. theta energy: -173.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1956.205472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.205472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.205472 (E_RNA) where: Base-Base interactions energy: -1303.665 where: short stacking energy: -596.164 Base-Backbone interact. energy: -2.671 local terms energy: -649.869910 where: bonds (distance) C4'-P energy: -130.159 bonds (distance) P-C4' energy: -123.816 flat angles C4'-P-C4' energy: -149.723 flat angles P-C4'-P energy: -99.894 tors. eta vs tors. theta energy: -146.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1887.776356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.776356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.776356 (E_RNA) where: Base-Base interactions energy: -1275.307 where: short stacking energy: -558.972 Base-Backbone interact. energy: -3.071 local terms energy: -609.397882 where: bonds (distance) C4'-P energy: -102.694 bonds (distance) P-C4' energy: -133.919 flat angles C4'-P-C4' energy: -144.655 flat angles P-C4'-P energy: -83.231 tors. eta vs tors. theta energy: -144.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1677.302656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.302656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.302656 (E_RNA) where: Base-Base interactions energy: -1080.366 where: short stacking energy: -503.179 Base-Backbone interact. energy: -0.174 local terms energy: -596.762085 where: bonds (distance) C4'-P energy: -105.995 bonds (distance) P-C4' energy: -121.044 flat angles C4'-P-C4' energy: -143.853 flat angles P-C4'-P energy: -106.661 tors. eta vs tors. theta energy: -119.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1302.790846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.790846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.790846 (E_RNA) where: Base-Base interactions energy: -818.522 where: short stacking energy: -365.311 Base-Backbone interact. energy: 1.157 local terms energy: -485.425898 where: bonds (distance) C4'-P energy: -115.038 bonds (distance) P-C4' energy: -137.030 flat angles C4'-P-C4' energy: -117.067 flat angles P-C4'-P energy: -73.518 tors. eta vs tors. theta energy: -42.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -903.734508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.734508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.734508 (E_RNA) where: Base-Base interactions energy: -458.810 where: short stacking energy: -257.286 Base-Backbone interact. energy: 9.929 local terms energy: -454.853982 where: bonds (distance) C4'-P energy: -123.990 bonds (distance) P-C4' energy: -144.083 flat angles C4'-P-C4' energy: -106.022 flat angles P-C4'-P energy: -66.092 tors. eta vs tors. theta energy: -14.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -699.950237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.950237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.950237 (E_RNA) where: Base-Base interactions energy: -324.654 where: short stacking energy: -215.085 Base-Backbone interact. energy: -2.686 local terms energy: -372.610186 where: bonds (distance) C4'-P energy: -114.688 bonds (distance) P-C4' energy: -119.189 flat angles C4'-P-C4' energy: -95.054 flat angles P-C4'-P energy: -48.314 tors. eta vs tors. theta energy: 4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2534.244275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.244275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.244275 (E_RNA) where: Base-Base interactions energy: -1715.338 where: short stacking energy: -746.361 Base-Backbone interact. energy: -3.063 local terms energy: -815.842968 where: bonds (distance) C4'-P energy: -148.459 bonds (distance) P-C4' energy: -158.648 flat angles C4'-P-C4' energy: -175.839 flat angles P-C4'-P energy: -116.384 tors. eta vs tors. theta energy: -216.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2398.063385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.063385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.063385 (E_RNA) where: Base-Base interactions energy: -1656.235 where: short stacking energy: -662.211 Base-Backbone interact. energy: -0.788 local terms energy: -741.040622 where: bonds (distance) C4'-P energy: -133.133 bonds (distance) P-C4' energy: -150.218 flat angles C4'-P-C4' energy: -165.530 flat angles P-C4'-P energy: -107.064 tors. eta vs tors. theta energy: -185.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2216.825169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.825169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.825169 (E_RNA) where: Base-Base interactions energy: -1503.620 where: short stacking energy: -636.372 Base-Backbone interact. energy: -2.619 local terms energy: -710.586757 where: bonds (distance) C4'-P energy: -142.973 bonds (distance) P-C4' energy: -137.085 flat angles C4'-P-C4' energy: -152.705 flat angles P-C4'-P energy: -109.993 tors. eta vs tors. theta energy: -167.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2135.418924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.418924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.418924 (E_RNA) where: Base-Base interactions energy: -1440.020 where: short stacking energy: -624.922 Base-Backbone interact. energy: -1.868 local terms energy: -693.530325 where: bonds (distance) C4'-P energy: -133.055 bonds (distance) P-C4' energy: -139.148 flat angles C4'-P-C4' energy: -150.350 flat angles P-C4'-P energy: -100.732 tors. eta vs tors. theta energy: -170.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2001.897290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.897290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.897290 (E_RNA) where: Base-Base interactions energy: -1368.433 where: short stacking energy: -570.539 Base-Backbone interact. energy: -2.761 local terms energy: -630.703739 where: bonds (distance) C4'-P energy: -110.791 bonds (distance) P-C4' energy: -138.151 flat angles C4'-P-C4' energy: -137.496 flat angles P-C4'-P energy: -102.158 tors. eta vs tors. theta energy: -142.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1928.390782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.390782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.390782 (E_RNA) where: Base-Base interactions energy: -1274.145 where: short stacking energy: -549.178 Base-Backbone interact. energy: -3.409 local terms energy: -650.836737 where: bonds (distance) C4'-P energy: -124.624 bonds (distance) P-C4' energy: -140.971 flat angles C4'-P-C4' energy: -154.577 flat angles P-C4'-P energy: -77.855 tors. eta vs tors. theta energy: -152.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1614.351182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.351182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.351182 (E_RNA) where: Base-Base interactions energy: -1025.189 where: short stacking energy: -438.004 Base-Backbone interact. energy: -3.123 local terms energy: -586.039352 where: bonds (distance) C4'-P energy: -126.333 bonds (distance) P-C4' energy: -134.733 flat angles C4'-P-C4' energy: -132.267 flat angles P-C4'-P energy: -95.423 tors. eta vs tors. theta energy: -97.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1258.191364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.191364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.191364 (E_RNA) where: Base-Base interactions energy: -764.901 where: short stacking energy: -363.405 Base-Backbone interact. energy: -0.087 local terms energy: -493.204208 where: bonds (distance) C4'-P energy: -109.695 bonds (distance) P-C4' energy: -126.312 flat angles C4'-P-C4' energy: -110.269 flat angles P-C4'-P energy: -80.677 tors. eta vs tors. theta energy: -66.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -936.845669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.845669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.845669 (E_RNA) where: Base-Base interactions energy: -506.401 where: short stacking energy: -254.115 Base-Backbone interact. energy: 2.144 local terms energy: -432.588732 where: bonds (distance) C4'-P energy: -108.543 bonds (distance) P-C4' energy: -135.299 flat angles C4'-P-C4' energy: -109.753 flat angles P-C4'-P energy: -50.200 tors. eta vs tors. theta energy: -28.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -713.692018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.692018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.692018 (E_RNA) where: Base-Base interactions energy: -337.427 where: short stacking energy: -194.930 Base-Backbone interact. energy: -3.095 local terms energy: -373.169782 where: bonds (distance) C4'-P energy: -120.102 bonds (distance) P-C4' energy: -116.849 flat angles C4'-P-C4' energy: -95.394 flat angles P-C4'-P energy: -50.494 tors. eta vs tors. theta energy: 9.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2541.973101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.973101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.973101 (E_RNA) where: Base-Base interactions energy: -1741.523 where: short stacking energy: -742.942 Base-Backbone interact. energy: -1.237 local terms energy: -799.213320 where: bonds (distance) C4'-P energy: -149.301 bonds (distance) P-C4' energy: -148.854 flat angles C4'-P-C4' energy: -162.693 flat angles P-C4'-P energy: -124.826 tors. eta vs tors. theta energy: -213.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2385.263586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.263586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.263586 (E_RNA) where: Base-Base interactions energy: -1635.906 where: short stacking energy: -706.208 Base-Backbone interact. energy: -2.666 local terms energy: -746.690902 where: bonds (distance) C4'-P energy: -130.738 bonds (distance) P-C4' energy: -166.917 flat angles C4'-P-C4' energy: -160.023 flat angles P-C4'-P energy: -89.551 tors. eta vs tors. theta energy: -199.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2214.189276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.189276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.189276 (E_RNA) where: Base-Base interactions energy: -1511.556 where: short stacking energy: -612.836 Base-Backbone interact. energy: -0.789 local terms energy: -701.843693 where: bonds (distance) C4'-P energy: -141.488 bonds (distance) P-C4' energy: -145.673 flat angles C4'-P-C4' energy: -153.305 flat angles P-C4'-P energy: -93.750 tors. eta vs tors. theta energy: -167.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2157.527475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.527475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.527475 (E_RNA) where: Base-Base interactions energy: -1458.975 where: short stacking energy: -665.443 Base-Backbone interact. energy: 1.301 local terms energy: -699.854007 where: bonds (distance) C4'-P energy: -128.057 bonds (distance) P-C4' energy: -141.375 flat angles C4'-P-C4' energy: -148.514 flat angles P-C4'-P energy: -96.304 tors. eta vs tors. theta energy: -185.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2003.465141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.465141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.465141 (E_RNA) where: Base-Base interactions energy: -1336.323 where: short stacking energy: -604.410 Base-Backbone interact. energy: -0.883 local terms energy: -666.258595 where: bonds (distance) C4'-P energy: -113.320 bonds (distance) P-C4' energy: -131.849 flat angles C4'-P-C4' energy: -149.448 flat angles P-C4'-P energy: -98.564 tors. eta vs tors. theta energy: -173.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1909.603423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.603423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.603423 (E_RNA) where: Base-Base interactions energy: -1265.904 where: short stacking energy: -553.166 Base-Backbone interact. energy: -5.743 local terms energy: -637.956190 where: bonds (distance) C4'-P energy: -123.355 bonds (distance) P-C4' energy: -138.479 flat angles C4'-P-C4' energy: -141.160 flat angles P-C4'-P energy: -93.496 tors. eta vs tors. theta energy: -141.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1637.266994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.266994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.266994 (E_RNA) where: Base-Base interactions energy: -1058.328 where: short stacking energy: -468.820 Base-Backbone interact. energy: -3.591 local terms energy: -575.348370 where: bonds (distance) C4'-P energy: -135.329 bonds (distance) P-C4' energy: -139.867 flat angles C4'-P-C4' energy: -115.523 flat angles P-C4'-P energy: -77.842 tors. eta vs tors. theta energy: -106.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1264.406562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.406562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.406562 (E_RNA) where: Base-Base interactions energy: -777.296 where: short stacking energy: -370.205 Base-Backbone interact. energy: -4.207 local terms energy: -482.903903 where: bonds (distance) C4'-P energy: -110.044 bonds (distance) P-C4' energy: -125.694 flat angles C4'-P-C4' energy: -127.772 flat angles P-C4'-P energy: -59.712 tors. eta vs tors. theta energy: -59.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1068.527809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.527809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.527809 (E_RNA) where: Base-Base interactions energy: -611.684 where: short stacking energy: -294.218 Base-Backbone interact. energy: 0.280 local terms energy: -457.124186 where: bonds (distance) C4'-P energy: -107.416 bonds (distance) P-C4' energy: -138.990 flat angles C4'-P-C4' energy: -109.953 flat angles P-C4'-P energy: -80.678 tors. eta vs tors. theta energy: -20.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -815.188768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.188768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.188768 (E_RNA) where: Base-Base interactions energy: -435.367 where: short stacking energy: -255.294 Base-Backbone interact. energy: -4.286 local terms energy: -375.535970 where: bonds (distance) C4'-P energy: -110.227 bonds (distance) P-C4' energy: -100.473 flat angles C4'-P-C4' energy: -108.193 flat angles P-C4'-P energy: -44.716 tors. eta vs tors. theta energy: -11.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2510.887604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.887604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.887604 (E_RNA) where: Base-Base interactions energy: -1696.056 where: short stacking energy: -749.831 Base-Backbone interact. energy: -2.017 local terms energy: -812.814318 where: bonds (distance) C4'-P energy: -148.846 bonds (distance) P-C4' energy: -146.778 flat angles C4'-P-C4' energy: -180.930 flat angles P-C4'-P energy: -113.635 tors. eta vs tors. theta energy: -222.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2374.680287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.680287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.680287 (E_RNA) where: Base-Base interactions energy: -1608.327 where: short stacking energy: -687.139 Base-Backbone interact. energy: -2.646 local terms energy: -763.707056 where: bonds (distance) C4'-P energy: -150.793 bonds (distance) P-C4' energy: -161.670 flat angles C4'-P-C4' energy: -159.772 flat angles P-C4'-P energy: -100.799 tors. eta vs tors. theta energy: -190.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2223.261438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.261438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.261438 (E_RNA) where: Base-Base interactions energy: -1521.211 where: short stacking energy: -656.887 Base-Backbone interact. energy: -0.699 local terms energy: -701.351668 where: bonds (distance) C4'-P energy: -124.460 bonds (distance) P-C4' energy: -153.152 flat angles C4'-P-C4' energy: -151.244 flat angles P-C4'-P energy: -108.633 tors. eta vs tors. theta energy: -163.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2133.255548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.255548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.255548 (E_RNA) where: Base-Base interactions energy: -1433.448 where: short stacking energy: -621.214 Base-Backbone interact. energy: 3.601 local terms energy: -703.407889 where: bonds (distance) C4'-P energy: -131.518 bonds (distance) P-C4' energy: -146.050 flat angles C4'-P-C4' energy: -161.060 flat angles P-C4'-P energy: -97.083 tors. eta vs tors. theta energy: -167.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1971.991054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.991054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.991054 (E_RNA) where: Base-Base interactions energy: -1328.195 where: short stacking energy: -599.239 Base-Backbone interact. energy: -4.001 local terms energy: -639.794622 where: bonds (distance) C4'-P energy: -126.015 bonds (distance) P-C4' energy: -130.916 flat angles C4'-P-C4' energy: -136.912 flat angles P-C4'-P energy: -101.681 tors. eta vs tors. theta energy: -144.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1964.670231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.670231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.670231 (E_RNA) where: Base-Base interactions energy: -1323.635 where: short stacking energy: -585.283 Base-Backbone interact. energy: -0.246 local terms energy: -640.788859 where: bonds (distance) C4'-P energy: -137.623 bonds (distance) P-C4' energy: -121.797 flat angles C4'-P-C4' energy: -144.095 flat angles P-C4'-P energy: -91.698 tors. eta vs tors. theta energy: -145.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1661.256039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.256039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.256039 (E_RNA) where: Base-Base interactions energy: -1101.403 where: short stacking energy: -504.590 Base-Backbone interact. energy: 2.218 local terms energy: -562.070845 where: bonds (distance) C4'-P energy: -121.903 bonds (distance) P-C4' energy: -134.985 flat angles C4'-P-C4' energy: -113.552 flat angles P-C4'-P energy: -76.517 tors. eta vs tors. theta energy: -115.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1204.433574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.433574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.433574 (E_RNA) where: Base-Base interactions energy: -730.325 where: short stacking energy: -336.758 Base-Backbone interact. energy: -2.886 local terms energy: -471.222197 where: bonds (distance) C4'-P energy: -122.499 bonds (distance) P-C4' energy: -104.572 flat angles C4'-P-C4' energy: -120.949 flat angles P-C4'-P energy: -78.269 tors. eta vs tors. theta energy: -44.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1018.381177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.381177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.381177 (E_RNA) where: Base-Base interactions energy: -535.110 where: short stacking energy: -289.718 Base-Backbone interact. energy: 0.897 local terms energy: -484.167428 where: bonds (distance) C4'-P energy: -134.137 bonds (distance) P-C4' energy: -131.218 flat angles C4'-P-C4' energy: -123.216 flat angles P-C4'-P energy: -55.286 tors. eta vs tors. theta energy: -40.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -822.402556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.402556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.402556 (E_RNA) where: Base-Base interactions energy: -410.214 where: short stacking energy: -225.277 Base-Backbone interact. energy: -0.230 local terms energy: -411.957993 where: bonds (distance) C4'-P energy: -125.106 bonds (distance) P-C4' energy: -141.314 flat angles C4'-P-C4' energy: -93.446 flat angles P-C4'-P energy: -60.118 tors. eta vs tors. theta energy: 8.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2504.298608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.298608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.298608 (E_RNA) where: Base-Base interactions energy: -1712.591 where: short stacking energy: -761.456 Base-Backbone interact. energy: -3.159 local terms energy: -788.548562 where: bonds (distance) C4'-P energy: -146.009 bonds (distance) P-C4' energy: -135.835 flat angles C4'-P-C4' energy: -156.917 flat angles P-C4'-P energy: -116.286 tors. eta vs tors. theta energy: -233.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2351.783612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.783612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.783612 (E_RNA) where: Base-Base interactions energy: -1599.349 where: short stacking energy: -658.481 Base-Backbone interact. energy: 0.351 local terms energy: -752.785799 where: bonds (distance) C4'-P energy: -148.888 bonds (distance) P-C4' energy: -150.465 flat angles C4'-P-C4' energy: -161.249 flat angles P-C4'-P energy: -122.375 tors. eta vs tors. theta energy: -169.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2246.442618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.442618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.442618 (E_RNA) where: Base-Base interactions energy: -1550.603 where: short stacking energy: -639.402 Base-Backbone interact. energy: -0.845 local terms energy: -694.994686 where: bonds (distance) C4'-P energy: -144.807 bonds (distance) P-C4' energy: -135.628 flat angles C4'-P-C4' energy: -155.675 flat angles P-C4'-P energy: -102.958 tors. eta vs tors. theta energy: -155.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2022.232560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.232560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.232560 (E_RNA) where: Base-Base interactions energy: -1355.567 where: short stacking energy: -605.651 Base-Backbone interact. energy: -0.593 local terms energy: -666.073320 where: bonds (distance) C4'-P energy: -137.649 bonds (distance) P-C4' energy: -126.311 flat angles C4'-P-C4' energy: -146.871 flat angles P-C4'-P energy: -92.657 tors. eta vs tors. theta energy: -162.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1988.123626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.123626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.123626 (E_RNA) where: Base-Base interactions energy: -1321.374 where: short stacking energy: -564.872 Base-Backbone interact. energy: -3.200 local terms energy: -663.549474 where: bonds (distance) C4'-P energy: -127.769 bonds (distance) P-C4' energy: -135.449 flat angles C4'-P-C4' energy: -149.722 flat angles P-C4'-P energy: -105.194 tors. eta vs tors. theta energy: -145.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1953.307434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.307434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.307434 (E_RNA) where: Base-Base interactions energy: -1307.452 where: short stacking energy: -578.758 Base-Backbone interact. energy: -1.390 local terms energy: -644.465305 where: bonds (distance) C4'-P energy: -121.100 bonds (distance) P-C4' energy: -127.692 flat angles C4'-P-C4' energy: -150.678 flat angles P-C4'-P energy: -90.092 tors. eta vs tors. theta energy: -154.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1658.831386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.831386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.831386 (E_RNA) where: Base-Base interactions energy: -1115.087 where: short stacking energy: -465.242 Base-Backbone interact. energy: -1.962 local terms energy: -541.782152 where: bonds (distance) C4'-P energy: -111.663 bonds (distance) P-C4' energy: -133.990 flat angles C4'-P-C4' energy: -132.626 flat angles P-C4'-P energy: -63.990 tors. eta vs tors. theta energy: -99.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1220.412274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.412274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.412274 (E_RNA) where: Base-Base interactions energy: -740.759 where: short stacking energy: -374.875 Base-Backbone interact. energy: 5.108 local terms energy: -484.761019 where: bonds (distance) C4'-P energy: -107.759 bonds (distance) P-C4' energy: -127.345 flat angles C4'-P-C4' energy: -114.034 flat angles P-C4'-P energy: -75.452 tors. eta vs tors. theta energy: -60.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -928.050865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.050865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.050865 (E_RNA) where: Base-Base interactions energy: -488.673 where: short stacking energy: -258.536 Base-Backbone interact. energy: 2.034 local terms energy: -441.412009 where: bonds (distance) C4'-P energy: -124.053 bonds (distance) P-C4' energy: -129.223 flat angles C4'-P-C4' energy: -109.525 flat angles P-C4'-P energy: -72.794 tors. eta vs tors. theta energy: -5.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -824.325249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.325249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.325249 (E_RNA) where: Base-Base interactions energy: -424.478 where: short stacking energy: -199.769 Base-Backbone interact. energy: 2.073 local terms energy: -401.920336 where: bonds (distance) C4'-P energy: -125.296 bonds (distance) P-C4' energy: -130.808 flat angles C4'-P-C4' energy: -107.335 flat angles P-C4'-P energy: -46.163 tors. eta vs tors. theta energy: 7.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2539.714132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.714132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.714132 (E_RNA) where: Base-Base interactions energy: -1736.491 where: short stacking energy: -752.537 Base-Backbone interact. energy: -2.412 local terms energy: -800.810912 where: bonds (distance) C4'-P energy: -140.746 bonds (distance) P-C4' energy: -148.079 flat angles C4'-P-C4' energy: -168.014 flat angles P-C4'-P energy: -111.042 tors. eta vs tors. theta energy: -232.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2391.559770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.559770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.559770 (E_RNA) where: Base-Base interactions energy: -1658.991 where: short stacking energy: -682.927 Base-Backbone interact. energy: -0.021 local terms energy: -732.548369 where: bonds (distance) C4'-P energy: -131.541 bonds (distance) P-C4' energy: -147.889 flat angles C4'-P-C4' energy: -163.853 flat angles P-C4'-P energy: -106.646 tors. eta vs tors. theta energy: -182.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2187.687413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.687413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.687413 (E_RNA) where: Base-Base interactions energy: -1494.883 where: short stacking energy: -622.141 Base-Backbone interact. energy: -1.559 local terms energy: -691.245535 where: bonds (distance) C4'-P energy: -126.312 bonds (distance) P-C4' energy: -138.759 flat angles C4'-P-C4' energy: -165.126 flat angles P-C4'-P energy: -104.750 tors. eta vs tors. theta energy: -156.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2049.712397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.712397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.712397 (E_RNA) where: Base-Base interactions energy: -1406.177 where: short stacking energy: -599.997 Base-Backbone interact. energy: 0.905 local terms energy: -644.440818 where: bonds (distance) C4'-P energy: -123.940 bonds (distance) P-C4' energy: -139.126 flat angles C4'-P-C4' energy: -157.127 flat angles P-C4'-P energy: -81.595 tors. eta vs tors. theta energy: -142.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1962.851917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.851917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.851917 (E_RNA) where: Base-Base interactions energy: -1304.490 where: short stacking energy: -551.627 Base-Backbone interact. energy: 1.032 local terms energy: -659.394415 where: bonds (distance) C4'-P energy: -138.502 bonds (distance) P-C4' energy: -145.693 flat angles C4'-P-C4' energy: -149.857 flat angles P-C4'-P energy: -82.218 tors. eta vs tors. theta energy: -143.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1989.574985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.574985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.574985 (E_RNA) where: Base-Base interactions energy: -1342.691 where: short stacking energy: -595.568 Base-Backbone interact. energy: -3.969 local terms energy: -642.914384 where: bonds (distance) C4'-P energy: -106.415 bonds (distance) P-C4' energy: -119.123 flat angles C4'-P-C4' energy: -162.317 flat angles P-C4'-P energy: -95.037 tors. eta vs tors. theta energy: -160.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1658.100104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.100104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.100104 (E_RNA) where: Base-Base interactions energy: -1091.728 where: short stacking energy: -496.588 Base-Backbone interact. energy: 4.027 local terms energy: -570.399205 where: bonds (distance) C4'-P energy: -117.839 bonds (distance) P-C4' energy: -122.820 flat angles C4'-P-C4' energy: -125.576 flat angles P-C4'-P energy: -76.133 tors. eta vs tors. theta energy: -128.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1230.944435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.944435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.944435 (E_RNA) where: Base-Base interactions energy: -719.535 where: short stacking energy: -365.915 Base-Backbone interact. energy: -1.346 local terms energy: -510.062896 where: bonds (distance) C4'-P energy: -132.394 bonds (distance) P-C4' energy: -139.889 flat angles C4'-P-C4' energy: -111.019 flat angles P-C4'-P energy: -68.024 tors. eta vs tors. theta energy: -58.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -972.689883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.689883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.689883 (E_RNA) where: Base-Base interactions energy: -531.298 where: short stacking energy: -278.304 Base-Backbone interact. energy: -1.742 local terms energy: -439.649394 where: bonds (distance) C4'-P energy: -120.947 bonds (distance) P-C4' energy: -120.775 flat angles C4'-P-C4' energy: -116.924 flat angles P-C4'-P energy: -58.268 tors. eta vs tors. theta energy: -22.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -800.185232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.185232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.185232 (E_RNA) where: Base-Base interactions energy: -365.135 where: short stacking energy: -201.042 Base-Backbone interact. energy: 0.358 local terms energy: -435.408408 where: bonds (distance) C4'-P energy: -127.863 bonds (distance) P-C4' energy: -129.544 flat angles C4'-P-C4' energy: -114.342 flat angles P-C4'-P energy: -66.340 tors. eta vs tors. theta energy: 2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2528.588805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.588805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.588805 (E_RNA) where: Base-Base interactions energy: -1736.602 where: short stacking energy: -759.927 Base-Backbone interact. energy: -1.689 local terms energy: -790.297385 where: bonds (distance) C4'-P energy: -143.101 bonds (distance) P-C4' energy: -142.044 flat angles C4'-P-C4' energy: -169.441 flat angles P-C4'-P energy: -108.628 tors. eta vs tors. theta energy: -227.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2407.035486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.035486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.035486 (E_RNA) where: Base-Base interactions energy: -1664.922 where: short stacking energy: -676.116 Base-Backbone interact. energy: -2.086 local terms energy: -740.027071 where: bonds (distance) C4'-P energy: -132.320 bonds (distance) P-C4' energy: -150.237 flat angles C4'-P-C4' energy: -163.548 flat angles P-C4'-P energy: -108.123 tors. eta vs tors. theta energy: -185.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2238.296587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.296587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.296587 (E_RNA) where: Base-Base interactions energy: -1556.286 where: short stacking energy: -640.803 Base-Backbone interact. energy: -4.118 local terms energy: -677.892100 where: bonds (distance) C4'-P energy: -125.835 bonds (distance) P-C4' energy: -140.675 flat angles C4'-P-C4' energy: -147.015 flat angles P-C4'-P energy: -86.068 tors. eta vs tors. theta energy: -178.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2063.370745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.370745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.370745 (E_RNA) where: Base-Base interactions energy: -1391.178 where: short stacking energy: -607.492 Base-Backbone interact. energy: -0.921 local terms energy: -671.270817 where: bonds (distance) C4'-P energy: -129.142 bonds (distance) P-C4' energy: -133.211 flat angles C4'-P-C4' energy: -134.547 flat angles P-C4'-P energy: -111.583 tors. eta vs tors. theta energy: -162.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1995.410779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.410779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.410779 (E_RNA) where: Base-Base interactions energy: -1311.068 where: short stacking energy: -590.172 Base-Backbone interact. energy: -3.847 local terms energy: -680.496449 where: bonds (distance) C4'-P energy: -125.303 bonds (distance) P-C4' energy: -134.550 flat angles C4'-P-C4' energy: -165.940 flat angles P-C4'-P energy: -86.691 tors. eta vs tors. theta energy: -168.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1940.881107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.881107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.881107 (E_RNA) where: Base-Base interactions energy: -1303.141 where: short stacking energy: -574.446 Base-Backbone interact. energy: -2.211 local terms energy: -635.529752 where: bonds (distance) C4'-P energy: -133.620 bonds (distance) P-C4' energy: -132.896 flat angles C4'-P-C4' energy: -129.389 flat angles P-C4'-P energy: -89.352 tors. eta vs tors. theta energy: -150.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1682.686849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.686849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.686849 (E_RNA) where: Base-Base interactions energy: -1103.160 where: short stacking energy: -479.733 Base-Backbone interact. energy: -2.308 local terms energy: -577.218846 where: bonds (distance) C4'-P energy: -140.278 bonds (distance) P-C4' energy: -136.600 flat angles C4'-P-C4' energy: -128.813 flat angles P-C4'-P energy: -71.629 tors. eta vs tors. theta energy: -99.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1249.965776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.965776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.965776 (E_RNA) where: Base-Base interactions energy: -748.846 where: short stacking energy: -380.825 Base-Backbone interact. energy: -4.185 local terms energy: -496.934406 where: bonds (distance) C4'-P energy: -105.962 bonds (distance) P-C4' energy: -115.565 flat angles C4'-P-C4' energy: -142.255 flat angles P-C4'-P energy: -68.409 tors. eta vs tors. theta energy: -64.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -959.491021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.491021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.491021 (E_RNA) where: Base-Base interactions energy: -507.625 where: short stacking energy: -253.693 Base-Backbone interact. energy: -0.880 local terms energy: -450.986235 where: bonds (distance) C4'-P energy: -113.052 bonds (distance) P-C4' energy: -143.786 flat angles C4'-P-C4' energy: -109.950 flat angles P-C4'-P energy: -57.893 tors. eta vs tors. theta energy: -26.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -774.670159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.670159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.670159 (E_RNA) where: Base-Base interactions energy: -383.883 where: short stacking energy: -239.815 Base-Backbone interact. energy: 5.398 local terms energy: -396.185085 where: bonds (distance) C4'-P energy: -97.800 bonds (distance) P-C4' energy: -132.332 flat angles C4'-P-C4' energy: -103.302 flat angles P-C4'-P energy: -67.977 tors. eta vs tors. theta energy: 5.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2534.191491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.191491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.191491 (E_RNA) where: Base-Base interactions energy: -1729.856 where: short stacking energy: -764.411 Base-Backbone interact. energy: -0.657 local terms energy: -803.678235 where: bonds (distance) C4'-P energy: -138.204 bonds (distance) P-C4' energy: -139.583 flat angles C4'-P-C4' energy: -172.319 flat angles P-C4'-P energy: -117.473 tors. eta vs tors. theta energy: -236.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2434.691100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.691100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.691100 (E_RNA) where: Base-Base interactions energy: -1696.819 where: short stacking energy: -698.203 Base-Backbone interact. energy: -3.408 local terms energy: -734.463914 where: bonds (distance) C4'-P energy: -136.129 bonds (distance) P-C4' energy: -139.880 flat angles C4'-P-C4' energy: -166.235 flat angles P-C4'-P energy: -97.255 tors. eta vs tors. theta energy: -194.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2216.905295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.905295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.905295 (E_RNA) where: Base-Base interactions energy: -1515.676 where: short stacking energy: -645.781 Base-Backbone interact. energy: -1.397 local terms energy: -699.832182 where: bonds (distance) C4'-P energy: -136.322 bonds (distance) P-C4' energy: -132.070 flat angles C4'-P-C4' energy: -160.302 flat angles P-C4'-P energy: -102.103 tors. eta vs tors. theta energy: -169.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2101.763829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.763829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.763829 (E_RNA) where: Base-Base interactions energy: -1394.605 where: short stacking energy: -618.486 Base-Backbone interact. energy: -4.827 local terms energy: -703.864426 where: bonds (distance) C4'-P energy: -131.786 bonds (distance) P-C4' energy: -144.200 flat angles C4'-P-C4' energy: -159.614 flat angles P-C4'-P energy: -100.957 tors. eta vs tors. theta energy: -167.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.533 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1986.287870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.287870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.287870 (E_RNA) where: Base-Base interactions energy: -1335.430 where: short stacking energy: -571.103 Base-Backbone interact. energy: -1.338 local terms energy: -649.520316 where: bonds (distance) C4'-P energy: -138.108 bonds (distance) P-C4' energy: -119.246 flat angles C4'-P-C4' energy: -149.536 flat angles P-C4'-P energy: -93.947 tors. eta vs tors. theta energy: -148.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1851.547610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.547610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.547610 (E_RNA) where: Base-Base interactions energy: -1227.780 where: short stacking energy: -527.113 Base-Backbone interact. energy: 0.647 local terms energy: -624.414630 where: bonds (distance) C4'-P energy: -135.064 bonds (distance) P-C4' energy: -146.709 flat angles C4'-P-C4' energy: -140.460 flat angles P-C4'-P energy: -67.317 tors. eta vs tors. theta energy: -134.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1710.809100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.809100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.809100 (E_RNA) where: Base-Base interactions energy: -1110.486 where: short stacking energy: -500.756 Base-Backbone interact. energy: 3.904 local terms energy: -604.226446 where: bonds (distance) C4'-P energy: -122.165 bonds (distance) P-C4' energy: -142.613 flat angles C4'-P-C4' energy: -142.269 flat angles P-C4'-P energy: -71.719 tors. eta vs tors. theta energy: -125.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1241.563148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.563148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.563148 (E_RNA) where: Base-Base interactions energy: -743.273 where: short stacking energy: -374.693 Base-Backbone interact. energy: -2.597 local terms energy: -495.693433 where: bonds (distance) C4'-P energy: -116.585 bonds (distance) P-C4' energy: -125.915 flat angles C4'-P-C4' energy: -115.736 flat angles P-C4'-P energy: -78.107 tors. eta vs tors. theta energy: -59.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -970.616640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.616640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.616640 (E_RNA) where: Base-Base interactions energy: -506.138 where: short stacking energy: -269.522 Base-Backbone interact. energy: 3.216 local terms energy: -467.694426 where: bonds (distance) C4'-P energy: -129.631 bonds (distance) P-C4' energy: -131.953 flat angles C4'-P-C4' energy: -131.013 flat angles P-C4'-P energy: -65.114 tors. eta vs tors. theta energy: -9.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -726.391018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.391018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.391018 (E_RNA) where: Base-Base interactions energy: -375.830 where: short stacking energy: -212.370 Base-Backbone interact. energy: 4.814 local terms energy: -355.375566 where: bonds (distance) C4'-P energy: -125.146 bonds (distance) P-C4' energy: -120.812 flat angles C4'-P-C4' energy: -80.575 flat angles P-C4'-P energy: -42.403 tors. eta vs tors. theta energy: 13.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2526.809920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.809920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.809920 (E_RNA) where: Base-Base interactions energy: -1721.119 where: short stacking energy: -753.887 Base-Backbone interact. energy: -3.452 local terms energy: -802.238575 where: bonds (distance) C4'-P energy: -157.410 bonds (distance) P-C4' energy: -141.265 flat angles C4'-P-C4' energy: -173.271 flat angles P-C4'-P energy: -106.530 tors. eta vs tors. theta energy: -223.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2368.608146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.608146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.608146 (E_RNA) where: Base-Base interactions energy: -1644.251 where: short stacking energy: -682.006 Base-Backbone interact. energy: 3.605 local terms energy: -727.961829 where: bonds (distance) C4'-P energy: -148.214 bonds (distance) P-C4' energy: -139.027 flat angles C4'-P-C4' energy: -159.992 flat angles P-C4'-P energy: -98.378 tors. eta vs tors. theta energy: -182.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2216.337282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.337282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.337282 (E_RNA) where: Base-Base interactions energy: -1531.082 where: short stacking energy: -642.735 Base-Backbone interact. energy: -1.993 local terms energy: -683.262873 where: bonds (distance) C4'-P energy: -134.036 bonds (distance) P-C4' energy: -147.911 flat angles C4'-P-C4' energy: -142.722 flat angles P-C4'-P energy: -92.905 tors. eta vs tors. theta energy: -165.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2058.917803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.917803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.917803 (E_RNA) where: Base-Base interactions energy: -1368.392 where: short stacking energy: -589.146 Base-Backbone interact. energy: -3.457 local terms energy: -687.069168 where: bonds (distance) C4'-P energy: -143.159 bonds (distance) P-C4' energy: -135.585 flat angles C4'-P-C4' energy: -161.425 flat angles P-C4'-P energy: -90.511 tors. eta vs tors. theta energy: -156.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2062.049390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.049390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.049390 (E_RNA) where: Base-Base interactions energy: -1401.179 where: short stacking energy: -599.486 Base-Backbone interact. energy: -1.482 local terms energy: -659.388540 where: bonds (distance) C4'-P energy: -133.532 bonds (distance) P-C4' energy: -122.512 flat angles C4'-P-C4' energy: -145.470 flat angles P-C4'-P energy: -94.850 tors. eta vs tors. theta energy: -163.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1778.327808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.327808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.327808 (E_RNA) where: Base-Base interactions energy: -1197.177 where: short stacking energy: -527.325 Base-Backbone interact. energy: -0.496 local terms energy: -580.654635 where: bonds (distance) C4'-P energy: -111.308 bonds (distance) P-C4' energy: -121.620 flat angles C4'-P-C4' energy: -130.769 flat angles P-C4'-P energy: -91.123 tors. eta vs tors. theta energy: -125.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1709.088648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.088648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.088648 (E_RNA) where: Base-Base interactions energy: -1105.218 where: short stacking energy: -464.087 Base-Backbone interact. energy: 1.086 local terms energy: -604.956191 where: bonds (distance) C4'-P energy: -134.882 bonds (distance) P-C4' energy: -133.802 flat angles C4'-P-C4' energy: -149.892 flat angles P-C4'-P energy: -83.550 tors. eta vs tors. theta energy: -102.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1220.905172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.905172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.905172 (E_RNA) where: Base-Base interactions energy: -714.943 where: short stacking energy: -357.460 Base-Backbone interact. energy: 4.841 local terms energy: -510.802366 where: bonds (distance) C4'-P energy: -133.451 bonds (distance) P-C4' energy: -125.253 flat angles C4'-P-C4' energy: -117.817 flat angles P-C4'-P energy: -74.787 tors. eta vs tors. theta energy: -59.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -898.609978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.609978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.609978 (E_RNA) where: Base-Base interactions energy: -470.339 where: short stacking energy: -267.864 Base-Backbone interact. energy: 0.612 local terms energy: -428.882437 where: bonds (distance) C4'-P energy: -123.010 bonds (distance) P-C4' energy: -104.167 flat angles C4'-P-C4' energy: -124.716 flat angles P-C4'-P energy: -70.195 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -754.688974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.688974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.688974 (E_RNA) where: Base-Base interactions energy: -359.361 where: short stacking energy: -217.305 Base-Backbone interact. energy: -0.518 local terms energy: -394.810124 where: bonds (distance) C4'-P energy: -112.085 bonds (distance) P-C4' energy: -115.452 flat angles C4'-P-C4' energy: -104.878 flat angles P-C4'-P energy: -65.358 tors. eta vs tors. theta energy: 2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2522.186863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.186863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.186863 (E_RNA) where: Base-Base interactions energy: -1670.386 where: short stacking energy: -732.934 Base-Backbone interact. energy: 0.318 local terms energy: -852.119068 where: bonds (distance) C4'-P energy: -167.293 bonds (distance) P-C4' energy: -153.503 flat angles C4'-P-C4' energy: -179.073 flat angles P-C4'-P energy: -119.727 tors. eta vs tors. theta energy: -232.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2376.379723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.379723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.379723 (E_RNA) where: Base-Base interactions energy: -1620.408 where: short stacking energy: -693.561 Base-Backbone interact. energy: -2.495 local terms energy: -753.476814 where: bonds (distance) C4'-P energy: -142.000 bonds (distance) P-C4' energy: -148.104 flat angles C4'-P-C4' energy: -171.314 flat angles P-C4'-P energy: -110.852 tors. eta vs tors. theta energy: -181.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2236.184384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.184384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.184384 (E_RNA) where: Base-Base interactions energy: -1548.895 where: short stacking energy: -633.169 Base-Backbone interact. energy: 2.479 local terms energy: -689.768247 where: bonds (distance) C4'-P energy: -122.107 bonds (distance) P-C4' energy: -148.239 flat angles C4'-P-C4' energy: -147.348 flat angles P-C4'-P energy: -100.542 tors. eta vs tors. theta energy: -171.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2080.724304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.724304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.724304 (E_RNA) where: Base-Base interactions energy: -1418.265 where: short stacking energy: -627.370 Base-Backbone interact. energy: -1.451 local terms energy: -661.007857 where: bonds (distance) C4'-P energy: -129.961 bonds (distance) P-C4' energy: -132.742 flat angles C4'-P-C4' energy: -138.870 flat angles P-C4'-P energy: -92.961 tors. eta vs tors. theta energy: -166.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2040.068103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.068103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.068103 (E_RNA) where: Base-Base interactions energy: -1382.527 where: short stacking energy: -599.910 Base-Backbone interact. energy: -2.718 local terms energy: -654.822754 where: bonds (distance) C4'-P energy: -129.645 bonds (distance) P-C4' energy: -124.036 flat angles C4'-P-C4' energy: -161.584 flat angles P-C4'-P energy: -94.266 tors. eta vs tors. theta energy: -145.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1823.084350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.084350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.084350 (E_RNA) where: Base-Base interactions energy: -1189.553 where: short stacking energy: -502.946 Base-Backbone interact. energy: 0.089 local terms energy: -633.620671 where: bonds (distance) C4'-P energy: -128.000 bonds (distance) P-C4' energy: -139.194 flat angles C4'-P-C4' energy: -125.587 flat angles P-C4'-P energy: -99.055 tors. eta vs tors. theta energy: -141.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1586.992356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.992356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.992356 (E_RNA) where: Base-Base interactions energy: -1048.858 where: short stacking energy: -462.798 Base-Backbone interact. energy: 2.516 local terms energy: -540.650572 where: bonds (distance) C4'-P energy: -106.100 bonds (distance) P-C4' energy: -128.013 flat angles C4'-P-C4' energy: -130.306 flat angles P-C4'-P energy: -65.466 tors. eta vs tors. theta energy: -110.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1219.708317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.708317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.708317 (E_RNA) where: Base-Base interactions energy: -748.544 where: short stacking energy: -373.807 Base-Backbone interact. energy: -2.654 local terms energy: -468.510356 where: bonds (distance) C4'-P energy: -113.057 bonds (distance) P-C4' energy: -124.532 flat angles C4'-P-C4' energy: -118.859 flat angles P-C4'-P energy: -63.086 tors. eta vs tors. theta energy: -48.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -894.914073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.914073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.914073 (E_RNA) where: Base-Base interactions energy: -468.085 where: short stacking energy: -260.489 Base-Backbone interact. energy: -2.863 local terms energy: -423.965741 where: bonds (distance) C4'-P energy: -113.557 bonds (distance) P-C4' energy: -132.825 flat angles C4'-P-C4' energy: -92.996 flat angles P-C4'-P energy: -67.265 tors. eta vs tors. theta energy: -17.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -701.283802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.283802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.283802 (E_RNA) where: Base-Base interactions energy: -313.413 where: short stacking energy: -198.827 Base-Backbone interact. energy: -1.583 local terms energy: -386.287465 where: bonds (distance) C4'-P energy: -107.396 bonds (distance) P-C4' energy: -113.734 flat angles C4'-P-C4' energy: -91.672 flat angles P-C4'-P energy: -75.505 tors. eta vs tors. theta energy: 2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2498.615436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.615436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.615436 (E_RNA) where: Base-Base interactions energy: -1690.755 where: short stacking energy: -726.762 Base-Backbone interact. energy: -2.810 local terms energy: -805.050228 where: bonds (distance) C4'-P energy: -146.541 bonds (distance) P-C4' energy: -165.597 flat angles C4'-P-C4' energy: -175.592 flat angles P-C4'-P energy: -106.862 tors. eta vs tors. theta energy: -210.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2370.118930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.118930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.118930 (E_RNA) where: Base-Base interactions energy: -1646.542 where: short stacking energy: -674.054 Base-Backbone interact. energy: -2.254 local terms energy: -721.323528 where: bonds (distance) C4'-P energy: -142.701 bonds (distance) P-C4' energy: -150.826 flat angles C4'-P-C4' energy: -147.932 flat angles P-C4'-P energy: -103.451 tors. eta vs tors. theta energy: -176.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2218.477254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.477254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.477254 (E_RNA) where: Base-Base interactions energy: -1506.409 where: short stacking energy: -627.155 Base-Backbone interact. energy: 2.086 local terms energy: -714.154572 where: bonds (distance) C4'-P energy: -138.238 bonds (distance) P-C4' energy: -139.029 flat angles C4'-P-C4' energy: -159.713 flat angles P-C4'-P energy: -113.371 tors. eta vs tors. theta energy: -163.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2079.295410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.295410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.295410 (E_RNA) where: Base-Base interactions energy: -1391.060 where: short stacking energy: -632.870 Base-Backbone interact. energy: -0.149 local terms energy: -688.085821 where: bonds (distance) C4'-P energy: -130.540 bonds (distance) P-C4' energy: -136.372 flat angles C4'-P-C4' energy: -143.738 flat angles P-C4'-P energy: -111.274 tors. eta vs tors. theta energy: -166.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2076.500239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.500239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.500239 (E_RNA) where: Base-Base interactions energy: -1384.066 where: short stacking energy: -612.601 Base-Backbone interact. energy: -3.216 local terms energy: -689.218818 where: bonds (distance) C4'-P energy: -132.223 bonds (distance) P-C4' energy: -140.993 flat angles C4'-P-C4' energy: -152.988 flat angles P-C4'-P energy: -86.443 tors. eta vs tors. theta energy: -176.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1832.613355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.613355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.613355 (E_RNA) where: Base-Base interactions energy: -1209.426 where: short stacking energy: -552.937 Base-Backbone interact. energy: 1.954 local terms energy: -625.140811 where: bonds (distance) C4'-P energy: -136.066 bonds (distance) P-C4' energy: -134.786 flat angles C4'-P-C4' energy: -136.349 flat angles P-C4'-P energy: -92.309 tors. eta vs tors. theta energy: -125.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1541.453480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.453480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.453480 (E_RNA) where: Base-Base interactions energy: -1003.306 where: short stacking energy: -454.091 Base-Backbone interact. energy: 4.573 local terms energy: -542.720679 where: bonds (distance) C4'-P energy: -109.154 bonds (distance) P-C4' energy: -130.783 flat angles C4'-P-C4' energy: -135.957 flat angles P-C4'-P energy: -65.636 tors. eta vs tors. theta energy: -101.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1194.041571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.041571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.041571 (E_RNA) where: Base-Base interactions energy: -678.961 where: short stacking energy: -334.236 Base-Backbone interact. energy: -3.099 local terms energy: -511.981944 where: bonds (distance) C4'-P energy: -125.652 bonds (distance) P-C4' energy: -128.588 flat angles C4'-P-C4' energy: -127.227 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: -52.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -889.670067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.670067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.670067 (E_RNA) where: Base-Base interactions energy: -463.829 where: short stacking energy: -254.778 Base-Backbone interact. energy: -1.434 local terms energy: -424.406349 where: bonds (distance) C4'-P energy: -113.388 bonds (distance) P-C4' energy: -132.807 flat angles C4'-P-C4' energy: -114.903 flat angles P-C4'-P energy: -50.742 tors. eta vs tors. theta energy: -12.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -788.801244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.801244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.801244 (E_RNA) where: Base-Base interactions energy: -403.352 where: short stacking energy: -229.987 Base-Backbone interact. energy: 0.939 local terms energy: -386.388165 where: bonds (distance) C4'-P energy: -101.451 bonds (distance) P-C4' energy: -112.610 flat angles C4'-P-C4' energy: -111.229 flat angles P-C4'-P energy: -54.057 tors. eta vs tors. theta energy: -7.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2517.782174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.782174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.782174 (E_RNA) where: Base-Base interactions energy: -1716.321 where: short stacking energy: -763.033 Base-Backbone interact. energy: 0.408 local terms energy: -801.869085 where: bonds (distance) C4'-P energy: -151.623 bonds (distance) P-C4' energy: -152.684 flat angles C4'-P-C4' energy: -168.634 flat angles P-C4'-P energy: -107.714 tors. eta vs tors. theta energy: -221.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2381.135437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.135437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.135437 (E_RNA) where: Base-Base interactions energy: -1644.077 where: short stacking energy: -671.841 Base-Backbone interact. energy: -0.522 local terms energy: -736.535886 where: bonds (distance) C4'-P energy: -142.405 bonds (distance) P-C4' energy: -146.503 flat angles C4'-P-C4' energy: -160.682 flat angles P-C4'-P energy: -115.684 tors. eta vs tors. theta energy: -171.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2200.451045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.451045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.451045 (E_RNA) where: Base-Base interactions energy: -1491.125 where: short stacking energy: -623.234 Base-Backbone interact. energy: -3.225 local terms energy: -706.100985 where: bonds (distance) C4'-P energy: -144.710 bonds (distance) P-C4' energy: -143.324 flat angles C4'-P-C4' energy: -150.113 flat angles P-C4'-P energy: -98.633 tors. eta vs tors. theta energy: -169.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2085.831997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.831997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.831997 (E_RNA) where: Base-Base interactions energy: -1391.217 where: short stacking energy: -615.078 Base-Backbone interact. energy: -1.907 local terms energy: -692.708506 where: bonds (distance) C4'-P energy: -135.206 bonds (distance) P-C4' energy: -152.870 flat angles C4'-P-C4' energy: -154.302 flat angles P-C4'-P energy: -91.110 tors. eta vs tors. theta energy: -159.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2017.862362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.862362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.862362 (E_RNA) where: Base-Base interactions energy: -1352.995 where: short stacking energy: -617.505 Base-Backbone interact. energy: -2.794 local terms energy: -662.073594 where: bonds (distance) C4'-P energy: -124.488 bonds (distance) P-C4' energy: -115.003 flat angles C4'-P-C4' energy: -154.856 flat angles P-C4'-P energy: -110.702 tors. eta vs tors. theta energy: -157.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1836.638184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.638184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.638184 (E_RNA) where: Base-Base interactions energy: -1211.730 where: short stacking energy: -539.546 Base-Backbone interact. energy: -0.117 local terms energy: -624.791165 where: bonds (distance) C4'-P energy: -117.394 bonds (distance) P-C4' energy: -119.600 flat angles C4'-P-C4' energy: -151.983 flat angles P-C4'-P energy: -89.365 tors. eta vs tors. theta energy: -146.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1521.427559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.427559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.427559 (E_RNA) where: Base-Base interactions energy: -933.527 where: short stacking energy: -458.683 Base-Backbone interact. energy: -1.777 local terms energy: -586.123962 where: bonds (distance) C4'-P energy: -146.854 bonds (distance) P-C4' energy: -118.938 flat angles C4'-P-C4' energy: -129.515 flat angles P-C4'-P energy: -82.132 tors. eta vs tors. theta energy: -108.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1224.189821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.189821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.189821 (E_RNA) where: Base-Base interactions energy: -751.234 where: short stacking energy: -356.831 Base-Backbone interact. energy: 9.630 local terms energy: -482.585518 where: bonds (distance) C4'-P energy: -122.117 bonds (distance) P-C4' energy: -121.635 flat angles C4'-P-C4' energy: -111.908 flat angles P-C4'-P energy: -81.210 tors. eta vs tors. theta energy: -45.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -882.770765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.770765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.770765 (E_RNA) where: Base-Base interactions energy: -475.017 where: short stacking energy: -232.900 Base-Backbone interact. energy: 0.249 local terms energy: -408.003303 where: bonds (distance) C4'-P energy: -104.705 bonds (distance) P-C4' energy: -109.422 flat angles C4'-P-C4' energy: -117.036 flat angles P-C4'-P energy: -71.579 tors. eta vs tors. theta energy: -5.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -673.830750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.830750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.830750 (E_RNA) where: Base-Base interactions energy: -263.551 where: short stacking energy: -166.457 Base-Backbone interact. energy: -3.020 local terms energy: -407.260113 where: bonds (distance) C4'-P energy: -129.483 bonds (distance) P-C4' energy: -122.160 flat angles C4'-P-C4' energy: -123.442 flat angles P-C4'-P energy: -46.663 tors. eta vs tors. theta energy: 14.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2521.512590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.512590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.512590 (E_RNA) where: Base-Base interactions energy: -1712.154 where: short stacking energy: -762.544 Base-Backbone interact. energy: 0.018 local terms energy: -809.376047 where: bonds (distance) C4'-P energy: -155.121 bonds (distance) P-C4' energy: -151.325 flat angles C4'-P-C4' energy: -171.343 flat angles P-C4'-P energy: -109.299 tors. eta vs tors. theta energy: -222.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2375.721706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.721706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.721706 (E_RNA) where: Base-Base interactions energy: -1666.373 where: short stacking energy: -662.252 Base-Backbone interact. energy: 2.025 local terms energy: -711.373981 where: bonds (distance) C4'-P energy: -138.524 bonds (distance) P-C4' energy: -156.677 flat angles C4'-P-C4' energy: -147.189 flat angles P-C4'-P energy: -93.885 tors. eta vs tors. theta energy: -175.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2200.945960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.945960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.945960 (E_RNA) where: Base-Base interactions energy: -1472.976 where: short stacking energy: -626.409 Base-Backbone interact. energy: -3.705 local terms energy: -724.264469 where: bonds (distance) C4'-P energy: -144.684 bonds (distance) P-C4' energy: -139.301 flat angles C4'-P-C4' energy: -155.798 flat angles P-C4'-P energy: -117.966 tors. eta vs tors. theta energy: -166.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2113.616040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.616040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.616040 (E_RNA) where: Base-Base interactions energy: -1422.130 where: short stacking energy: -645.770 Base-Backbone interact. energy: 0.489 local terms energy: -691.974456 where: bonds (distance) C4'-P energy: -118.419 bonds (distance) P-C4' energy: -144.185 flat angles C4'-P-C4' energy: -151.749 flat angles P-C4'-P energy: -106.715 tors. eta vs tors. theta energy: -170.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2004.643419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.643419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.643419 (E_RNA) where: Base-Base interactions energy: -1357.923 where: short stacking energy: -592.390 Base-Backbone interact. energy: -2.605 local terms energy: -644.115077 where: bonds (distance) C4'-P energy: -119.909 bonds (distance) P-C4' energy: -137.870 flat angles C4'-P-C4' energy: -150.632 flat angles P-C4'-P energy: -79.171 tors. eta vs tors. theta energy: -156.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1862.517806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.517806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.517806 (E_RNA) where: Base-Base interactions energy: -1206.231 where: short stacking energy: -550.136 Base-Backbone interact. energy: -1.822 local terms energy: -654.464594 where: bonds (distance) C4'-P energy: -147.792 bonds (distance) P-C4' energy: -129.093 flat angles C4'-P-C4' energy: -140.310 flat angles P-C4'-P energy: -100.954 tors. eta vs tors. theta energy: -136.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1546.045552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.045552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.045552 (E_RNA) where: Base-Base interactions energy: -997.211 where: short stacking energy: -431.872 Base-Backbone interact. energy: -1.422 local terms energy: -547.412431 where: bonds (distance) C4'-P energy: -117.882 bonds (distance) P-C4' energy: -118.668 flat angles C4'-P-C4' energy: -121.505 flat angles P-C4'-P energy: -94.340 tors. eta vs tors. theta energy: -95.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1228.250891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.250891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.250891 (E_RNA) where: Base-Base interactions energy: -704.468 where: short stacking energy: -344.822 Base-Backbone interact. energy: 0.071 local terms energy: -523.854095 where: bonds (distance) C4'-P energy: -111.291 bonds (distance) P-C4' energy: -125.049 flat angles C4'-P-C4' energy: -136.598 flat angles P-C4'-P energy: -87.958 tors. eta vs tors. theta energy: -62.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -923.543873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.543873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.543873 (E_RNA) where: Base-Base interactions energy: -501.388 where: short stacking energy: -264.001 Base-Backbone interact. energy: 2.069 local terms energy: -424.225232 where: bonds (distance) C4'-P energy: -114.282 bonds (distance) P-C4' energy: -128.689 flat angles C4'-P-C4' energy: -107.457 flat angles P-C4'-P energy: -55.150 tors. eta vs tors. theta energy: -18.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -718.260767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.260767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.260767 (E_RNA) where: Base-Base interactions energy: -325.661 where: short stacking energy: -236.513 Base-Backbone interact. energy: 0.697 local terms energy: -393.295905 where: bonds (distance) C4'-P energy: -124.672 bonds (distance) P-C4' energy: -107.141 flat angles C4'-P-C4' energy: -109.011 flat angles P-C4'-P energy: -49.728 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2504.098508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.098508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.098508 (E_RNA) where: Base-Base interactions energy: -1711.466 where: short stacking energy: -744.788 Base-Backbone interact. energy: -1.807 local terms energy: -790.825342 where: bonds (distance) C4'-P energy: -146.450 bonds (distance) P-C4' energy: -142.377 flat angles C4'-P-C4' energy: -168.275 flat angles P-C4'-P energy: -114.459 tors. eta vs tors. theta energy: -219.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2393.048940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.048940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.048940 (E_RNA) where: Base-Base interactions energy: -1647.180 where: short stacking energy: -689.441 Base-Backbone interact. energy: -2.326 local terms energy: -743.542742 where: bonds (distance) C4'-P energy: -142.309 bonds (distance) P-C4' energy: -137.955 flat angles C4'-P-C4' energy: -170.334 flat angles P-C4'-P energy: -104.444 tors. eta vs tors. theta energy: -188.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2232.658278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.658278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.658278 (E_RNA) where: Base-Base interactions energy: -1514.151 where: short stacking energy: -680.377 Base-Backbone interact. energy: -1.303 local terms energy: -717.204867 where: bonds (distance) C4'-P energy: -144.882 bonds (distance) P-C4' energy: -139.135 flat angles C4'-P-C4' energy: -149.890 flat angles P-C4'-P energy: -102.124 tors. eta vs tors. theta energy: -181.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2089.490135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.490135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.490135 (E_RNA) where: Base-Base interactions energy: -1423.490 where: short stacking energy: -634.412 Base-Backbone interact. energy: 0.446 local terms energy: -666.446829 where: bonds (distance) C4'-P energy: -125.817 bonds (distance) P-C4' energy: -138.124 flat angles C4'-P-C4' energy: -149.454 flat angles P-C4'-P energy: -82.194 tors. eta vs tors. theta energy: -170.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2107.402259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.402259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.402259 (E_RNA) where: Base-Base interactions energy: -1436.981 where: short stacking energy: -618.810 Base-Backbone interact. energy: 0.991 local terms energy: -671.412034 where: bonds (distance) C4'-P energy: -110.092 bonds (distance) P-C4' energy: -146.823 flat angles C4'-P-C4' energy: -162.301 flat angles P-C4'-P energy: -72.693 tors. eta vs tors. theta energy: -179.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1877.669420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.669420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.669420 (E_RNA) where: Base-Base interactions energy: -1244.025 where: short stacking energy: -529.766 Base-Backbone interact. energy: 1.435 local terms energy: -635.079336 where: bonds (distance) C4'-P energy: -130.944 bonds (distance) P-C4' energy: -145.819 flat angles C4'-P-C4' energy: -123.265 flat angles P-C4'-P energy: -89.138 tors. eta vs tors. theta energy: -145.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1601.057172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.057172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.057172 (E_RNA) where: Base-Base interactions energy: -1063.875 where: short stacking energy: -465.777 Base-Backbone interact. energy: -1.092 local terms energy: -536.090107 where: bonds (distance) C4'-P energy: -103.266 bonds (distance) P-C4' energy: -134.799 flat angles C4'-P-C4' energy: -124.867 flat angles P-C4'-P energy: -77.285 tors. eta vs tors. theta energy: -95.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1284.832557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.832557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.832557 (E_RNA) where: Base-Base interactions energy: -778.567 where: short stacking energy: -350.788 Base-Backbone interact. energy: -0.586 local terms energy: -505.679171 where: bonds (distance) C4'-P energy: -120.908 bonds (distance) P-C4' energy: -121.976 flat angles C4'-P-C4' energy: -128.073 flat angles P-C4'-P energy: -79.077 tors. eta vs tors. theta energy: -55.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -969.925007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.925007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.925007 (E_RNA) where: Base-Base interactions energy: -520.083 where: short stacking energy: -269.431 Base-Backbone interact. energy: -0.506 local terms energy: -449.335778 where: bonds (distance) C4'-P energy: -99.005 bonds (distance) P-C4' energy: -128.585 flat angles C4'-P-C4' energy: -113.571 flat angles P-C4'-P energy: -77.535 tors. eta vs tors. theta energy: -30.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -622.355046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.355046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.355046 (E_RNA) where: Base-Base interactions energy: -248.625 where: short stacking energy: -150.705 Base-Backbone interact. energy: -0.962 local terms energy: -372.767549 where: bonds (distance) C4'-P energy: -119.678 bonds (distance) P-C4' energy: -126.457 flat angles C4'-P-C4' energy: -110.680 flat angles P-C4'-P energy: -48.656 tors. eta vs tors. theta energy: 32.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2511.251003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.251003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.251003 (E_RNA) where: Base-Base interactions energy: -1739.036 where: short stacking energy: -741.861 Base-Backbone interact. energy: -5.416 local terms energy: -766.799244 where: bonds (distance) C4'-P energy: -144.653 bonds (distance) P-C4' energy: -133.809 flat angles C4'-P-C4' energy: -159.200 flat angles P-C4'-P energy: -110.613 tors. eta vs tors. theta energy: -218.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2347.911869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.911869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.911869 (E_RNA) where: Base-Base interactions energy: -1618.035 where: short stacking energy: -685.022 Base-Backbone interact. energy: -0.302 local terms energy: -729.575636 where: bonds (distance) C4'-P energy: -145.147 bonds (distance) P-C4' energy: -137.848 flat angles C4'-P-C4' energy: -164.184 flat angles P-C4'-P energy: -96.651 tors. eta vs tors. theta energy: -185.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2207.649927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.649927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.649927 (E_RNA) where: Base-Base interactions energy: -1502.889 where: short stacking energy: -659.170 Base-Backbone interact. energy: -1.038 local terms energy: -703.722374 where: bonds (distance) C4'-P energy: -137.608 bonds (distance) P-C4' energy: -123.651 flat angles C4'-P-C4' energy: -155.213 flat angles P-C4'-P energy: -110.998 tors. eta vs tors. theta energy: -176.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2101.577126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.577126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.577126 (E_RNA) where: Base-Base interactions energy: -1419.336 where: short stacking energy: -623.077 Base-Backbone interact. energy: -3.103 local terms energy: -679.137972 where: bonds (distance) C4'-P energy: -140.119 bonds (distance) P-C4' energy: -125.645 flat angles C4'-P-C4' energy: -147.923 flat angles P-C4'-P energy: -101.972 tors. eta vs tors. theta energy: -163.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2084.334537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.334537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.334537 (E_RNA) where: Base-Base interactions energy: -1445.158 where: short stacking energy: -650.195 Base-Backbone interact. energy: -4.684 local terms energy: -634.492272 where: bonds (distance) C4'-P energy: -122.707 bonds (distance) P-C4' energy: -115.236 flat angles C4'-P-C4' energy: -142.709 flat angles P-C4'-P energy: -81.195 tors. eta vs tors. theta energy: -172.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1854.115409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.115409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.115409 (E_RNA) where: Base-Base interactions energy: -1255.077 where: short stacking energy: -501.248 Base-Backbone interact. energy: 10.092 local terms energy: -609.129978 where: bonds (distance) C4'-P energy: -143.289 bonds (distance) P-C4' energy: -125.076 flat angles C4'-P-C4' energy: -133.714 flat angles P-C4'-P energy: -84.938 tors. eta vs tors. theta energy: -122.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1603.955908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.955908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.955908 (E_RNA) where: Base-Base interactions energy: -1057.832 where: short stacking energy: -484.350 Base-Backbone interact. energy: -0.978 local terms energy: -545.145991 where: bonds (distance) C4'-P energy: -103.350 bonds (distance) P-C4' energy: -135.603 flat angles C4'-P-C4' energy: -146.651 flat angles P-C4'-P energy: -66.303 tors. eta vs tors. theta energy: -93.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1225.330383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.330383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.330383 (E_RNA) where: Base-Base interactions energy: -762.202 where: short stacking energy: -379.549 Base-Backbone interact. energy: 3.521 local terms energy: -466.649805 where: bonds (distance) C4'-P energy: -109.290 bonds (distance) P-C4' energy: -135.385 flat angles C4'-P-C4' energy: -110.845 flat angles P-C4'-P energy: -55.132 tors. eta vs tors. theta energy: -55.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -991.540711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.540711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.540711 (E_RNA) where: Base-Base interactions energy: -546.385 where: short stacking energy: -288.078 Base-Backbone interact. energy: -1.420 local terms energy: -443.735892 where: bonds (distance) C4'-P energy: -117.771 bonds (distance) P-C4' energy: -137.729 flat angles C4'-P-C4' energy: -107.363 flat angles P-C4'-P energy: -67.192 tors. eta vs tors. theta energy: -13.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -676.223122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.223122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.223122 (E_RNA) where: Base-Base interactions energy: -325.376 where: short stacking energy: -188.472 Base-Backbone interact. energy: 4.960 local terms energy: -355.807016 where: bonds (distance) C4'-P energy: -106.562 bonds (distance) P-C4' energy: -121.453 flat angles C4'-P-C4' energy: -95.822 flat angles P-C4'-P energy: -49.860 tors. eta vs tors. theta energy: 17.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2530.293967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.293967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.293967 (E_RNA) where: Base-Base interactions energy: -1747.765 where: short stacking energy: -748.002 Base-Backbone interact. energy: -2.544 local terms energy: -779.984671 where: bonds (distance) C4'-P energy: -146.703 bonds (distance) P-C4' energy: -146.308 flat angles C4'-P-C4' energy: -175.583 flat angles P-C4'-P energy: -102.536 tors. eta vs tors. theta energy: -208.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2343.656280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.656280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.656280 (E_RNA) where: Base-Base interactions energy: -1650.737 where: short stacking energy: -665.415 Base-Backbone interact. energy: -2.392 local terms energy: -690.527576 where: bonds (distance) C4'-P energy: -130.568 bonds (distance) P-C4' energy: -128.141 flat angles C4'-P-C4' energy: -159.181 flat angles P-C4'-P energy: -107.643 tors. eta vs tors. theta energy: -164.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2181.425610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.425610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.425610 (E_RNA) where: Base-Base interactions energy: -1492.860 where: short stacking energy: -666.917 Base-Backbone interact. energy: -2.351 local terms energy: -686.215000 where: bonds (distance) C4'-P energy: -112.553 bonds (distance) P-C4' energy: -137.847 flat angles C4'-P-C4' energy: -160.895 flat angles P-C4'-P energy: -101.849 tors. eta vs tors. theta energy: -173.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2135.850275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.850275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.850275 (E_RNA) where: Base-Base interactions energy: -1396.738 where: short stacking energy: -630.562 Base-Backbone interact. energy: -1.478 local terms energy: -737.634492 where: bonds (distance) C4'-P energy: -147.242 bonds (distance) P-C4' energy: -146.257 flat angles C4'-P-C4' energy: -168.087 flat angles P-C4'-P energy: -112.542 tors. eta vs tors. theta energy: -163.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2040.944219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.944219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.944219 (E_RNA) where: Base-Base interactions energy: -1374.391 where: short stacking energy: -600.208 Base-Backbone interact. energy: -0.561 local terms energy: -665.991807 where: bonds (distance) C4'-P energy: -130.563 bonds (distance) P-C4' energy: -124.029 flat angles C4'-P-C4' energy: -153.557 flat angles P-C4'-P energy: -96.667 tors. eta vs tors. theta energy: -161.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1752.431507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.431507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.431507 (E_RNA) where: Base-Base interactions energy: -1158.608 where: short stacking energy: -501.509 Base-Backbone interact. energy: 2.217 local terms energy: -596.040583 where: bonds (distance) C4'-P energy: -143.603 bonds (distance) P-C4' energy: -113.326 flat angles C4'-P-C4' energy: -148.722 flat angles P-C4'-P energy: -71.305 tors. eta vs tors. theta energy: -119.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1611.547428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.547428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.547428 (E_RNA) where: Base-Base interactions energy: -1030.794 where: short stacking energy: -442.480 Base-Backbone interact. energy: -2.447 local terms energy: -578.306215 where: bonds (distance) C4'-P energy: -126.245 bonds (distance) P-C4' energy: -136.295 flat angles C4'-P-C4' energy: -140.671 flat angles P-C4'-P energy: -86.373 tors. eta vs tors. theta energy: -88.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1247.136202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.136202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.136202 (E_RNA) where: Base-Base interactions energy: -702.991 where: short stacking energy: -361.096 Base-Backbone interact. energy: -1.155 local terms energy: -542.989517 where: bonds (distance) C4'-P energy: -131.221 bonds (distance) P-C4' energy: -145.551 flat angles C4'-P-C4' energy: -118.077 flat angles P-C4'-P energy: -83.579 tors. eta vs tors. theta energy: -64.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -968.127417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.127417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.127417 (E_RNA) where: Base-Base interactions energy: -521.068 where: short stacking energy: -265.947 Base-Backbone interact. energy: -0.327 local terms energy: -446.732382 where: bonds (distance) C4'-P energy: -122.123 bonds (distance) P-C4' energy: -133.384 flat angles C4'-P-C4' energy: -121.683 flat angles P-C4'-P energy: -55.871 tors. eta vs tors. theta energy: -13.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -685.219597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.219597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.219597 (E_RNA) where: Base-Base interactions energy: -321.577 where: short stacking energy: -208.560 Base-Backbone interact. energy: 4.628 local terms energy: -368.270675 where: bonds (distance) C4'-P energy: -109.223 bonds (distance) P-C4' energy: -122.961 flat angles C4'-P-C4' energy: -76.161 flat angles P-C4'-P energy: -62.365 tors. eta vs tors. theta energy: 2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2590.353180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.353180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.353180 (E_RNA) where: Base-Base interactions energy: -1807.403 where: short stacking energy: -771.929 Base-Backbone interact. energy: -2.252 local terms energy: -780.698043 where: bonds (distance) C4'-P energy: -135.768 bonds (distance) P-C4' energy: -142.716 flat angles C4'-P-C4' energy: -168.956 flat angles P-C4'-P energy: -103.337 tors. eta vs tors. theta energy: -229.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2354.929072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.929072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.929072 (E_RNA) where: Base-Base interactions energy: -1640.014 where: short stacking energy: -679.655 Base-Backbone interact. energy: 2.960 local terms energy: -717.874218 where: bonds (distance) C4'-P energy: -141.370 bonds (distance) P-C4' energy: -142.688 flat angles C4'-P-C4' energy: -163.212 flat angles P-C4'-P energy: -95.106 tors. eta vs tors. theta energy: -175.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2210.488517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.488517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.488517 (E_RNA) where: Base-Base interactions energy: -1465.157 where: short stacking energy: -670.809 Base-Backbone interact. energy: -4.834 local terms energy: -740.497474 where: bonds (distance) C4'-P energy: -138.956 bonds (distance) P-C4' energy: -156.016 flat angles C4'-P-C4' energy: -159.431 flat angles P-C4'-P energy: -104.654 tors. eta vs tors. theta energy: -181.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2137.474001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.474001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.474001 (E_RNA) where: Base-Base interactions energy: -1479.083 where: short stacking energy: -633.553 Base-Backbone interact. energy: 0.001 local terms energy: -658.391719 where: bonds (distance) C4'-P energy: -137.696 bonds (distance) P-C4' energy: -133.702 flat angles C4'-P-C4' energy: -150.632 flat angles P-C4'-P energy: -85.936 tors. eta vs tors. theta energy: -150.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2113.887552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.887552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.887552 (E_RNA) where: Base-Base interactions energy: -1437.097 where: short stacking energy: -674.792 Base-Backbone interact. energy: -3.430 local terms energy: -673.360672 where: bonds (distance) C4'-P energy: -117.516 bonds (distance) P-C4' energy: -137.785 flat angles C4'-P-C4' energy: -133.312 flat angles P-C4'-P energy: -90.960 tors. eta vs tors. theta energy: -193.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1710.608624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.608624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.608624 (E_RNA) where: Base-Base interactions energy: -1141.376 where: short stacking energy: -489.904 Base-Backbone interact. energy: -0.170 local terms energy: -569.062742 where: bonds (distance) C4'-P energy: -130.741 bonds (distance) P-C4' energy: -122.267 flat angles C4'-P-C4' energy: -131.139 flat angles P-C4'-P energy: -78.219 tors. eta vs tors. theta energy: -106.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1619.871409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.871409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.871409 (E_RNA) where: Base-Base interactions energy: -1052.406 where: short stacking energy: -464.556 Base-Backbone interact. energy: -2.347 local terms energy: -565.118560 where: bonds (distance) C4'-P energy: -118.317 bonds (distance) P-C4' energy: -131.014 flat angles C4'-P-C4' energy: -135.635 flat angles P-C4'-P energy: -75.796 tors. eta vs tors. theta energy: -104.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1237.982371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.982371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.982371 (E_RNA) where: Base-Base interactions energy: -735.841 where: short stacking energy: -346.736 Base-Backbone interact. energy: -1.079 local terms energy: -501.061960 where: bonds (distance) C4'-P energy: -120.405 bonds (distance) P-C4' energy: -124.561 flat angles C4'-P-C4' energy: -126.373 flat angles P-C4'-P energy: -78.466 tors. eta vs tors. theta energy: -51.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -920.182046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.182046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.182046 (E_RNA) where: Base-Base interactions energy: -506.349 where: short stacking energy: -237.697 Base-Backbone interact. energy: 0.479 local terms energy: -414.311846 where: bonds (distance) C4'-P energy: -126.154 bonds (distance) P-C4' energy: -125.285 flat angles C4'-P-C4' energy: -109.410 flat angles P-C4'-P energy: -50.972 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -637.438799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.438799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.438799 (E_RNA) where: Base-Base interactions energy: -279.272 where: short stacking energy: -214.384 Base-Backbone interact. energy: 2.506 local terms energy: -360.672688 where: bonds (distance) C4'-P energy: -105.243 bonds (distance) P-C4' energy: -103.717 flat angles C4'-P-C4' energy: -102.263 flat angles P-C4'-P energy: -71.965 tors. eta vs tors. theta energy: 22.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2580.082492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.082492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.082492 (E_RNA) where: Base-Base interactions energy: -1771.078 where: short stacking energy: -769.392 Base-Backbone interact. energy: 0.227 local terms energy: -809.231989 where: bonds (distance) C4'-P energy: -139.741 bonds (distance) P-C4' energy: -141.629 flat angles C4'-P-C4' energy: -178.248 flat angles P-C4'-P energy: -118.457 tors. eta vs tors. theta energy: -231.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2351.927309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.927309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.927309 (E_RNA) where: Base-Base interactions energy: -1635.906 where: short stacking energy: -672.563 Base-Backbone interact. energy: -2.922 local terms energy: -713.098642 where: bonds (distance) C4'-P energy: -139.369 bonds (distance) P-C4' energy: -142.069 flat angles C4'-P-C4' energy: -161.977 flat angles P-C4'-P energy: -94.198 tors. eta vs tors. theta energy: -175.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2160.728890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.728890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.728890 (E_RNA) where: Base-Base interactions energy: -1443.696 where: short stacking energy: -641.276 Base-Backbone interact. energy: -0.447 local terms energy: -716.585609 where: bonds (distance) C4'-P energy: -139.736 bonds (distance) P-C4' energy: -133.721 flat angles C4'-P-C4' energy: -167.121 flat angles P-C4'-P energy: -109.383 tors. eta vs tors. theta energy: -166.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2126.700653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.700653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.700653 (E_RNA) where: Base-Base interactions energy: -1462.147 where: short stacking energy: -606.756 Base-Backbone interact. energy: -2.761 local terms energy: -661.793278 where: bonds (distance) C4'-P energy: -144.180 bonds (distance) P-C4' energy: -141.943 flat angles C4'-P-C4' energy: -140.638 flat angles P-C4'-P energy: -84.719 tors. eta vs tors. theta energy: -150.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2085.805529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.805529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.805529 (E_RNA) where: Base-Base interactions energy: -1415.599 where: short stacking energy: -640.661 Base-Backbone interact. energy: -2.013 local terms energy: -668.193716 where: bonds (distance) C4'-P energy: -135.443 bonds (distance) P-C4' energy: -117.379 flat angles C4'-P-C4' energy: -148.860 flat angles P-C4'-P energy: -79.093 tors. eta vs tors. theta energy: -187.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1720.033087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.033087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.033087 (E_RNA) where: Base-Base interactions energy: -1137.377 where: short stacking energy: -471.806 Base-Backbone interact. energy: 4.236 local terms energy: -586.892110 where: bonds (distance) C4'-P energy: -113.070 bonds (distance) P-C4' energy: -125.504 flat angles C4'-P-C4' energy: -130.292 flat angles P-C4'-P energy: -111.575 tors. eta vs tors. theta energy: -106.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1588.373920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.373920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.373920 (E_RNA) where: Base-Base interactions energy: -1018.188 where: short stacking energy: -464.528 Base-Backbone interact. energy: -0.161 local terms energy: -570.489017 where: bonds (distance) C4'-P energy: -134.287 bonds (distance) P-C4' energy: -143.533 flat angles C4'-P-C4' energy: -116.381 flat angles P-C4'-P energy: -77.389 tors. eta vs tors. theta energy: -98.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.464 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1248.513716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.513716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.513716 (E_RNA) where: Base-Base interactions energy: -733.669 where: short stacking energy: -345.209 Base-Backbone interact. energy: -1.614 local terms energy: -513.230516 where: bonds (distance) C4'-P energy: -144.484 bonds (distance) P-C4' energy: -129.536 flat angles C4'-P-C4' energy: -101.269 flat angles P-C4'-P energy: -84.743 tors. eta vs tors. theta energy: -53.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -951.550992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.550992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.550992 (E_RNA) where: Base-Base interactions energy: -516.004 where: short stacking energy: -312.270 Base-Backbone interact. energy: 0.962 local terms energy: -436.508988 where: bonds (distance) C4'-P energy: -99.457 bonds (distance) P-C4' energy: -117.296 flat angles C4'-P-C4' energy: -117.717 flat angles P-C4'-P energy: -55.436 tors. eta vs tors. theta energy: -46.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -605.917708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.917708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.917708 (E_RNA) where: Base-Base interactions energy: -226.609 where: short stacking energy: -148.730 Base-Backbone interact. energy: 0.315 local terms energy: -379.624317 where: bonds (distance) C4'-P energy: -105.877 bonds (distance) P-C4' energy: -121.375 flat angles C4'-P-C4' energy: -105.122 flat angles P-C4'-P energy: -68.113 tors. eta vs tors. theta energy: 20.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2545.665023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.665023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.665023 (E_RNA) where: Base-Base interactions energy: -1741.232 where: short stacking energy: -748.034 Base-Backbone interact. energy: -4.469 local terms energy: -799.963905 where: bonds (distance) C4'-P energy: -163.468 bonds (distance) P-C4' energy: -148.073 flat angles C4'-P-C4' energy: -172.556 flat angles P-C4'-P energy: -103.159 tors. eta vs tors. theta energy: -212.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2369.488320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.488320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.488320 (E_RNA) where: Base-Base interactions energy: -1632.794 where: short stacking energy: -696.513 Base-Backbone interact. energy: -0.390 local terms energy: -736.304599 where: bonds (distance) C4'-P energy: -136.458 bonds (distance) P-C4' energy: -137.190 flat angles C4'-P-C4' energy: -162.621 flat angles P-C4'-P energy: -103.760 tors. eta vs tors. theta energy: -196.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2188.502439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.502439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.502439 (E_RNA) where: Base-Base interactions energy: -1460.262 where: short stacking energy: -667.292 Base-Backbone interact. energy: -0.935 local terms energy: -727.305872 where: bonds (distance) C4'-P energy: -142.220 bonds (distance) P-C4' energy: -136.020 flat angles C4'-P-C4' energy: -163.379 flat angles P-C4'-P energy: -103.017 tors. eta vs tors. theta energy: -182.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2109.787676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.787676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.787676 (E_RNA) where: Base-Base interactions energy: -1439.855 where: short stacking energy: -621.993 Base-Backbone interact. energy: -1.074 local terms energy: -668.859354 where: bonds (distance) C4'-P energy: -129.599 bonds (distance) P-C4' energy: -138.703 flat angles C4'-P-C4' energy: -138.540 flat angles P-C4'-P energy: -105.732 tors. eta vs tors. theta energy: -156.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2059.921371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.921371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.921371 (E_RNA) where: Base-Base interactions energy: -1382.357 where: short stacking energy: -600.870 Base-Backbone interact. energy: 0.592 local terms energy: -678.156072 where: bonds (distance) C4'-P energy: -119.058 bonds (distance) P-C4' energy: -140.428 flat angles C4'-P-C4' energy: -159.240 flat angles P-C4'-P energy: -96.924 tors. eta vs tors. theta energy: -162.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1764.242248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.242248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.242248 (E_RNA) where: Base-Base interactions energy: -1173.226 where: short stacking energy: -481.037 Base-Backbone interact. energy: -3.034 local terms energy: -587.982645 where: bonds (distance) C4'-P energy: -132.697 bonds (distance) P-C4' energy: -124.334 flat angles C4'-P-C4' energy: -130.694 flat angles P-C4'-P energy: -84.665 tors. eta vs tors. theta energy: -115.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1608.500978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.500978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.500978 (E_RNA) where: Base-Base interactions energy: -1017.794 where: short stacking energy: -464.282 Base-Backbone interact. energy: -0.639 local terms energy: -590.067931 where: bonds (distance) C4'-P energy: -123.675 bonds (distance) P-C4' energy: -134.711 flat angles C4'-P-C4' energy: -137.636 flat angles P-C4'-P energy: -74.184 tors. eta vs tors. theta energy: -119.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1250.486454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.486454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.486454 (E_RNA) where: Base-Base interactions energy: -788.645 where: short stacking energy: -363.117 Base-Backbone interact. energy: 2.363 local terms energy: -464.204533 where: bonds (distance) C4'-P energy: -113.039 bonds (distance) P-C4' energy: -123.644 flat angles C4'-P-C4' energy: -105.571 flat angles P-C4'-P energy: -70.544 tors. eta vs tors. theta energy: -51.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -958.660854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.660854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.660854 (E_RNA) where: Base-Base interactions energy: -502.574 where: short stacking energy: -252.886 Base-Backbone interact. energy: -1.784 local terms energy: -454.303042 where: bonds (distance) C4'-P energy: -121.695 bonds (distance) P-C4' energy: -129.413 flat angles C4'-P-C4' energy: -122.487 flat angles P-C4'-P energy: -60.108 tors. eta vs tors. theta energy: -20.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -581.368556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.368556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.368556 (E_RNA) where: Base-Base interactions energy: -232.215 where: short stacking energy: -155.311 Base-Backbone interact. energy: 1.290 local terms energy: -350.444000 where: bonds (distance) C4'-P energy: -112.781 bonds (distance) P-C4' energy: -101.410 flat angles C4'-P-C4' energy: -100.317 flat angles P-C4'-P energy: -63.970 tors. eta vs tors. theta energy: 28.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2566.476803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.476803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.476803 (E_RNA) where: Base-Base interactions energy: -1747.136 where: short stacking energy: -742.211 Base-Backbone interact. energy: -0.862 local terms energy: -818.479014 where: bonds (distance) C4'-P energy: -146.001 bonds (distance) P-C4' energy: -150.474 flat angles C4'-P-C4' energy: -175.288 flat angles P-C4'-P energy: -122.681 tors. eta vs tors. theta energy: -224.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2393.066295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.066295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.066295 (E_RNA) where: Base-Base interactions energy: -1638.060 where: short stacking energy: -687.157 Base-Backbone interact. energy: 1.142 local terms energy: -756.147603 where: bonds (distance) C4'-P energy: -140.113 bonds (distance) P-C4' energy: -148.719 flat angles C4'-P-C4' energy: -160.527 flat angles P-C4'-P energy: -116.174 tors. eta vs tors. theta energy: -190.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2130.208049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.208049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.208049 (E_RNA) where: Base-Base interactions energy: -1422.565 where: short stacking energy: -627.528 Base-Backbone interact. energy: -4.484 local terms energy: -703.159551 where: bonds (distance) C4'-P energy: -131.112 bonds (distance) P-C4' energy: -147.919 flat angles C4'-P-C4' energy: -158.080 flat angles P-C4'-P energy: -103.971 tors. eta vs tors. theta energy: -162.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2178.841704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.841704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.841704 (E_RNA) where: Base-Base interactions energy: -1499.379 where: short stacking energy: -633.423 Base-Backbone interact. energy: -2.906 local terms energy: -676.556358 where: bonds (distance) C4'-P energy: -131.387 bonds (distance) P-C4' energy: -139.608 flat angles C4'-P-C4' energy: -145.082 flat angles P-C4'-P energy: -97.033 tors. eta vs tors. theta energy: -163.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2090.209771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.209771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.209771 (E_RNA) where: Base-Base interactions energy: -1413.050 where: short stacking energy: -652.872 Base-Backbone interact. energy: -3.569 local terms energy: -673.591168 where: bonds (distance) C4'-P energy: -123.884 bonds (distance) P-C4' energy: -142.936 flat angles C4'-P-C4' energy: -147.065 flat angles P-C4'-P energy: -91.493 tors. eta vs tors. theta energy: -168.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1818.250416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.250416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.250416 (E_RNA) where: Base-Base interactions energy: -1168.896 where: short stacking energy: -498.610 Base-Backbone interact. energy: 4.464 local terms energy: -653.817735 where: bonds (distance) C4'-P energy: -118.723 bonds (distance) P-C4' energy: -138.184 flat angles C4'-P-C4' energy: -161.168 flat angles P-C4'-P energy: -98.255 tors. eta vs tors. theta energy: -137.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1600.622978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.622978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.622978 (E_RNA) where: Base-Base interactions energy: -1045.627 where: short stacking energy: -472.685 Base-Backbone interact. energy: 0.574 local terms energy: -555.569244 where: bonds (distance) C4'-P energy: -122.250 bonds (distance) P-C4' energy: -124.068 flat angles C4'-P-C4' energy: -138.088 flat angles P-C4'-P energy: -68.713 tors. eta vs tors. theta energy: -102.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1227.433553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.433553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.433553 (E_RNA) where: Base-Base interactions energy: -742.327 where: short stacking energy: -367.927 Base-Backbone interact. energy: -1.800 local terms energy: -483.798150 where: bonds (distance) C4'-P energy: -117.102 bonds (distance) P-C4' energy: -121.992 flat angles C4'-P-C4' energy: -121.293 flat angles P-C4'-P energy: -77.323 tors. eta vs tors. theta energy: -46.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.492 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -926.353445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.353445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.353445 (E_RNA) where: Base-Base interactions energy: -479.659 where: short stacking energy: -271.454 Base-Backbone interact. energy: -2.680 local terms energy: -444.014543 where: bonds (distance) C4'-P energy: -132.786 bonds (distance) P-C4' energy: -138.378 flat angles C4'-P-C4' energy: -100.933 flat angles P-C4'-P energy: -49.884 tors. eta vs tors. theta energy: -22.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -585.978397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.978397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.978397 (E_RNA) where: Base-Base interactions energy: -225.817 where: short stacking energy: -173.534 Base-Backbone interact. energy: 10.851 local terms energy: -371.012833 where: bonds (distance) C4'-P energy: -109.961 bonds (distance) P-C4' energy: -134.360 flat angles C4'-P-C4' energy: -92.027 flat angles P-C4'-P energy: -52.310 tors. eta vs tors. theta energy: 17.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2553.883958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.883958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.883958 (E_RNA) where: Base-Base interactions energy: -1764.590 where: short stacking energy: -760.434 Base-Backbone interact. energy: 0.923 local terms energy: -790.217532 where: bonds (distance) C4'-P energy: -139.880 bonds (distance) P-C4' energy: -143.368 flat angles C4'-P-C4' energy: -171.436 flat angles P-C4'-P energy: -110.071 tors. eta vs tors. theta energy: -225.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2347.916702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.916702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.916702 (E_RNA) where: Base-Base interactions energy: -1625.729 where: short stacking energy: -629.227 Base-Backbone interact. energy: 0.907 local terms energy: -723.094961 where: bonds (distance) C4'-P energy: -145.008 bonds (distance) P-C4' energy: -135.325 flat angles C4'-P-C4' energy: -165.664 flat angles P-C4'-P energy: -109.942 tors. eta vs tors. theta energy: -167.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2254.061468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.061468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.061468 (E_RNA) where: Base-Base interactions energy: -1536.256 where: short stacking energy: -604.630 Base-Backbone interact. energy: 0.060 local terms energy: -717.865305 where: bonds (distance) C4'-P energy: -141.541 bonds (distance) P-C4' energy: -136.837 flat angles C4'-P-C4' energy: -153.483 flat angles P-C4'-P energy: -109.989 tors. eta vs tors. theta energy: -176.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2099.703847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.703847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.703847 (E_RNA) where: Base-Base interactions energy: -1401.031 where: short stacking energy: -617.686 Base-Backbone interact. energy: -2.433 local terms energy: -696.239983 where: bonds (distance) C4'-P energy: -143.113 bonds (distance) P-C4' energy: -139.211 flat angles C4'-P-C4' energy: -153.869 flat angles P-C4'-P energy: -95.369 tors. eta vs tors. theta energy: -164.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2091.795332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.795332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.795332 (E_RNA) where: Base-Base interactions energy: -1386.360 where: short stacking energy: -631.615 Base-Backbone interact. energy: -2.834 local terms energy: -702.601113 where: bonds (distance) C4'-P energy: -116.003 bonds (distance) P-C4' energy: -148.459 flat angles C4'-P-C4' energy: -153.666 flat angles P-C4'-P energy: -104.090 tors. eta vs tors. theta energy: -180.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1784.956351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.956351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.956351 (E_RNA) where: Base-Base interactions energy: -1200.449 where: short stacking energy: -504.981 Base-Backbone interact. energy: 3.665 local terms energy: -588.172297 where: bonds (distance) C4'-P energy: -96.416 bonds (distance) P-C4' energy: -127.117 flat angles C4'-P-C4' energy: -142.087 flat angles P-C4'-P energy: -105.137 tors. eta vs tors. theta energy: -117.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1615.508484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.508484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.508484 (E_RNA) where: Base-Base interactions energy: -1014.493 where: short stacking energy: -468.422 Base-Backbone interact. energy: 0.877 local terms energy: -601.892455 where: bonds (distance) C4'-P energy: -117.930 bonds (distance) P-C4' energy: -121.511 flat angles C4'-P-C4' energy: -154.403 flat angles P-C4'-P energy: -82.575 tors. eta vs tors. theta energy: -125.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1236.331973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.331973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.331973 (E_RNA) where: Base-Base interactions energy: -716.046 where: short stacking energy: -350.232 Base-Backbone interact. energy: 7.817 local terms energy: -528.103785 where: bonds (distance) C4'-P energy: -116.340 bonds (distance) P-C4' energy: -125.301 flat angles C4'-P-C4' energy: -135.878 flat angles P-C4'-P energy: -72.516 tors. eta vs tors. theta energy: -78.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -946.732527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.732527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.732527 (E_RNA) where: Base-Base interactions energy: -489.798 where: short stacking energy: -274.875 Base-Backbone interact. energy: 3.973 local terms energy: -460.907526 where: bonds (distance) C4'-P energy: -113.387 bonds (distance) P-C4' energy: -140.857 flat angles C4'-P-C4' energy: -124.918 flat angles P-C4'-P energy: -58.025 tors. eta vs tors. theta energy: -23.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -551.352788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.352788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.352788 (E_RNA) where: Base-Base interactions energy: -202.778 where: short stacking energy: -158.748 Base-Backbone interact. energy: 6.308 local terms energy: -354.883240 where: bonds (distance) C4'-P energy: -100.312 bonds (distance) P-C4' energy: -121.731 flat angles C4'-P-C4' energy: -104.095 flat angles P-C4'-P energy: -46.924 tors. eta vs tors. theta energy: 18.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2560.534429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.534429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.534429 (E_RNA) where: Base-Base interactions energy: -1759.280 where: short stacking energy: -764.886 Base-Backbone interact. energy: -5.084 local terms energy: -796.170139 where: bonds (distance) C4'-P energy: -144.538 bonds (distance) P-C4' energy: -152.263 flat angles C4'-P-C4' energy: -169.451 flat angles P-C4'-P energy: -104.689 tors. eta vs tors. theta energy: -225.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2404.041446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.041446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.041446 (E_RNA) where: Base-Base interactions energy: -1654.304 where: short stacking energy: -680.496 Base-Backbone interact. energy: 2.170 local terms energy: -751.907781 where: bonds (distance) C4'-P energy: -133.576 bonds (distance) P-C4' energy: -153.519 flat angles C4'-P-C4' energy: -157.523 flat angles P-C4'-P energy: -117.860 tors. eta vs tors. theta energy: -189.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2304.653042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.653042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.653042 (E_RNA) where: Base-Base interactions energy: -1571.191 where: short stacking energy: -642.748 Base-Backbone interact. energy: -4.765 local terms energy: -728.696534 where: bonds (distance) C4'-P energy: -149.490 bonds (distance) P-C4' energy: -153.590 flat angles C4'-P-C4' energy: -147.988 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -185.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2165.074423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.074423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.074423 (E_RNA) where: Base-Base interactions energy: -1447.198 where: short stacking energy: -637.711 Base-Backbone interact. energy: -4.243 local terms energy: -713.633356 where: bonds (distance) C4'-P energy: -133.733 bonds (distance) P-C4' energy: -142.082 flat angles C4'-P-C4' energy: -151.565 flat angles P-C4'-P energy: -106.990 tors. eta vs tors. theta energy: -179.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2017.214886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.214886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.214886 (E_RNA) where: Base-Base interactions energy: -1349.034 where: short stacking energy: -580.553 Base-Backbone interact. energy: -0.567 local terms energy: -667.614170 where: bonds (distance) C4'-P energy: -131.413 bonds (distance) P-C4' energy: -136.241 flat angles C4'-P-C4' energy: -147.013 flat angles P-C4'-P energy: -108.633 tors. eta vs tors. theta energy: -144.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1846.693026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.693026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.693026 (E_RNA) where: Base-Base interactions energy: -1237.309 where: short stacking energy: -517.550 Base-Backbone interact. energy: 4.050 local terms energy: -613.434448 where: bonds (distance) C4'-P energy: -140.448 bonds (distance) P-C4' energy: -124.490 flat angles C4'-P-C4' energy: -131.202 flat angles P-C4'-P energy: -87.954 tors. eta vs tors. theta energy: -129.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1699.429425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.429425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.429425 (E_RNA) where: Base-Base interactions energy: -1112.318 where: short stacking energy: -469.220 Base-Backbone interact. energy: 0.297 local terms energy: -587.437915 where: bonds (distance) C4'-P energy: -141.084 bonds (distance) P-C4' energy: -124.873 flat angles C4'-P-C4' energy: -128.070 flat angles P-C4'-P energy: -77.269 tors. eta vs tors. theta energy: -116.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1162.836281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.836281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.836281 (E_RNA) where: Base-Base interactions energy: -665.349 where: short stacking energy: -331.164 Base-Backbone interact. energy: -2.202 local terms energy: -495.284701 where: bonds (distance) C4'-P energy: -107.469 bonds (distance) P-C4' energy: -140.472 flat angles C4'-P-C4' energy: -117.456 flat angles P-C4'-P energy: -86.703 tors. eta vs tors. theta energy: -43.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -966.182197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.182197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.182197 (E_RNA) where: Base-Base interactions energy: -509.729 where: short stacking energy: -301.629 Base-Backbone interact. energy: 1.225 local terms energy: -457.678376 where: bonds (distance) C4'-P energy: -111.571 bonds (distance) P-C4' energy: -141.016 flat angles C4'-P-C4' energy: -109.723 flat angles P-C4'-P energy: -63.704 tors. eta vs tors. theta energy: -31.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -562.130438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.130438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.130438 (E_RNA) where: Base-Base interactions energy: -195.225 where: short stacking energy: -155.094 Base-Backbone interact. energy: 4.038 local terms energy: -370.943576 where: bonds (distance) C4'-P energy: -95.482 bonds (distance) P-C4' energy: -131.190 flat angles C4'-P-C4' energy: -103.651 flat angles P-C4'-P energy: -57.056 tors. eta vs tors. theta energy: 16.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2535.718623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.718623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.718623 (E_RNA) where: Base-Base interactions energy: -1735.892 where: short stacking energy: -768.210 Base-Backbone interact. energy: -4.175 local terms energy: -795.651491 where: bonds (distance) C4'-P energy: -146.793 bonds (distance) P-C4' energy: -148.868 flat angles C4'-P-C4' energy: -158.280 flat angles P-C4'-P energy: -107.158 tors. eta vs tors. theta energy: -234.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2394.002706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.002706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.002706 (E_RNA) where: Base-Base interactions energy: -1623.379 where: short stacking energy: -669.773 Base-Backbone interact. energy: -0.061 local terms energy: -770.562824 where: bonds (distance) C4'-P energy: -135.991 bonds (distance) P-C4' energy: -165.155 flat angles C4'-P-C4' energy: -166.461 flat angles P-C4'-P energy: -117.076 tors. eta vs tors. theta energy: -185.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2252.907602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.907602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.907602 (E_RNA) where: Base-Base interactions energy: -1516.360 where: short stacking energy: -642.722 Base-Backbone interact. energy: -1.174 local terms energy: -735.373111 where: bonds (distance) C4'-P energy: -145.628 bonds (distance) P-C4' energy: -151.821 flat angles C4'-P-C4' energy: -169.097 flat angles P-C4'-P energy: -92.924 tors. eta vs tors. theta energy: -175.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2149.239230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.239230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.239230 (E_RNA) where: Base-Base interactions energy: -1440.524 where: short stacking energy: -618.058 Base-Backbone interact. energy: -2.685 local terms energy: -706.029792 where: bonds (distance) C4'-P energy: -140.563 bonds (distance) P-C4' energy: -133.255 flat angles C4'-P-C4' energy: -157.691 flat angles P-C4'-P energy: -104.659 tors. eta vs tors. theta energy: -169.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1992.203507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.203507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.203507 (E_RNA) where: Base-Base interactions energy: -1367.072 where: short stacking energy: -578.504 Base-Backbone interact. energy: 2.545 local terms energy: -627.706432 where: bonds (distance) C4'-P energy: -120.966 bonds (distance) P-C4' energy: -137.177 flat angles C4'-P-C4' energy: -128.128 flat angles P-C4'-P energy: -93.765 tors. eta vs tors. theta energy: -147.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1861.705868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.705868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.705868 (E_RNA) where: Base-Base interactions energy: -1229.368 where: short stacking energy: -517.647 Base-Backbone interact. energy: -1.544 local terms energy: -630.793986 where: bonds (distance) C4'-P energy: -128.435 bonds (distance) P-C4' energy: -134.836 flat angles C4'-P-C4' energy: -142.165 flat angles P-C4'-P energy: -92.665 tors. eta vs tors. theta energy: -132.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1690.638787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.638787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.638787 (E_RNA) where: Base-Base interactions energy: -1098.114 where: short stacking energy: -488.385 Base-Backbone interact. energy: 0.911 local terms energy: -593.435551 where: bonds (distance) C4'-P energy: -137.510 bonds (distance) P-C4' energy: -118.440 flat angles C4'-P-C4' energy: -141.469 flat angles P-C4'-P energy: -83.588 tors. eta vs tors. theta energy: -112.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1135.211664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.211664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.211664 (E_RNA) where: Base-Base interactions energy: -639.136 where: short stacking energy: -361.102 Base-Backbone interact. energy: -2.314 local terms energy: -493.761198 where: bonds (distance) C4'-P energy: -117.686 bonds (distance) P-C4' energy: -130.526 flat angles C4'-P-C4' energy: -121.440 flat angles P-C4'-P energy: -75.686 tors. eta vs tors. theta energy: -48.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -960.312750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.312750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.312750 (E_RNA) where: Base-Base interactions energy: -512.819 where: short stacking energy: -247.942 Base-Backbone interact. energy: 8.213 local terms energy: -455.706820 where: bonds (distance) C4'-P energy: -125.293 bonds (distance) P-C4' energy: -118.456 flat angles C4'-P-C4' energy: -127.960 flat angles P-C4'-P energy: -69.538 tors. eta vs tors. theta energy: -14.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -564.124429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.124429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.124429 (E_RNA) where: Base-Base interactions energy: -212.725 where: short stacking energy: -148.823 Base-Backbone interact. energy: -1.070 local terms energy: -350.329458 where: bonds (distance) C4'-P energy: -114.548 bonds (distance) P-C4' energy: -120.881 flat angles C4'-P-C4' energy: -88.475 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: 24.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2558.883174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.883174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.883174 (E_RNA) where: Base-Base interactions energy: -1722.113 where: short stacking energy: -757.032 Base-Backbone interact. energy: 0.423 local terms energy: -837.193014 where: bonds (distance) C4'-P energy: -152.622 bonds (distance) P-C4' energy: -163.202 flat angles C4'-P-C4' energy: -173.332 flat angles P-C4'-P energy: -110.432 tors. eta vs tors. theta energy: -237.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2371.001023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.001023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.001023 (E_RNA) where: Base-Base interactions energy: -1610.689 where: short stacking energy: -653.995 Base-Backbone interact. energy: -0.625 local terms energy: -759.687454 where: bonds (distance) C4'-P energy: -142.795 bonds (distance) P-C4' energy: -155.079 flat angles C4'-P-C4' energy: -164.693 flat angles P-C4'-P energy: -122.574 tors. eta vs tors. theta energy: -174.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2290.083736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.083736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.083736 (E_RNA) where: Base-Base interactions energy: -1559.064 where: short stacking energy: -666.848 Base-Backbone interact. energy: -2.832 local terms energy: -728.187712 where: bonds (distance) C4'-P energy: -130.939 bonds (distance) P-C4' energy: -146.940 flat angles C4'-P-C4' energy: -164.731 flat angles P-C4'-P energy: -110.280 tors. eta vs tors. theta energy: -175.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2182.328966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.328966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.328966 (E_RNA) where: Base-Base interactions energy: -1486.151 where: short stacking energy: -663.807 Base-Backbone interact. energy: -5.037 local terms energy: -691.140760 where: bonds (distance) C4'-P energy: -128.987 bonds (distance) P-C4' energy: -133.883 flat angles C4'-P-C4' energy: -147.681 flat angles P-C4'-P energy: -89.410 tors. eta vs tors. theta energy: -191.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2032.992337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.992337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.992337 (E_RNA) where: Base-Base interactions energy: -1384.087 where: short stacking energy: -578.361 Base-Backbone interact. energy: -2.317 local terms energy: -646.972639 where: bonds (distance) C4'-P energy: -116.082 bonds (distance) P-C4' energy: -155.480 flat angles C4'-P-C4' energy: -146.504 flat angles P-C4'-P energy: -79.621 tors. eta vs tors. theta energy: -149.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.385 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1854.497654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.497654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.497654 (E_RNA) where: Base-Base interactions energy: -1231.745 where: short stacking energy: -534.316 Base-Backbone interact. energy: 0.707 local terms energy: -623.459621 where: bonds (distance) C4'-P energy: -132.281 bonds (distance) P-C4' energy: -140.555 flat angles C4'-P-C4' energy: -138.278 flat angles P-C4'-P energy: -79.956 tors. eta vs tors. theta energy: -132.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1589.032765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.032765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.032765 (E_RNA) where: Base-Base interactions energy: -1037.114 where: short stacking energy: -454.550 Base-Backbone interact. energy: 5.214 local terms energy: -557.132445 where: bonds (distance) C4'-P energy: -117.057 bonds (distance) P-C4' energy: -140.684 flat angles C4'-P-C4' energy: -128.787 flat angles P-C4'-P energy: -78.968 tors. eta vs tors. theta energy: -91.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1154.037421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.037421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.037421 (E_RNA) where: Base-Base interactions energy: -657.692 where: short stacking energy: -340.539 Base-Backbone interact. energy: 7.132 local terms energy: -503.476995 where: bonds (distance) C4'-P energy: -109.087 bonds (distance) P-C4' energy: -120.633 flat angles C4'-P-C4' energy: -139.919 flat angles P-C4'-P energy: -75.280 tors. eta vs tors. theta energy: -58.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -895.369771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.369771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.369771 (E_RNA) where: Base-Base interactions energy: -457.693 where: short stacking energy: -236.553 Base-Backbone interact. energy: -2.329 local terms energy: -435.347490 where: bonds (distance) C4'-P energy: -128.672 bonds (distance) P-C4' energy: -119.599 flat angles C4'-P-C4' energy: -107.387 flat angles P-C4'-P energy: -69.220 tors. eta vs tors. theta energy: -10.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -543.141081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.141081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.141081 (E_RNA) where: Base-Base interactions energy: -169.728 where: short stacking energy: -139.349 Base-Backbone interact. energy: -0.527 local terms energy: -372.886054 where: bonds (distance) C4'-P energy: -143.651 bonds (distance) P-C4' energy: -124.303 flat angles C4'-P-C4' energy: -93.250 flat angles P-C4'-P energy: -49.777 tors. eta vs tors. theta energy: 38.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2592.939147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.939147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.939147 (E_RNA) where: Base-Base interactions energy: -1773.860 where: short stacking energy: -799.341 Base-Backbone interact. energy: 1.538 local terms energy: -820.617277 where: bonds (distance) C4'-P energy: -149.586 bonds (distance) P-C4' energy: -154.707 flat angles C4'-P-C4' energy: -169.904 flat angles P-C4'-P energy: -117.046 tors. eta vs tors. theta energy: -229.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2370.372420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.372420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.372420 (E_RNA) where: Base-Base interactions energy: -1630.191 where: short stacking energy: -678.363 Base-Backbone interact. energy: -2.272 local terms energy: -737.910018 where: bonds (distance) C4'-P energy: -153.339 bonds (distance) P-C4' energy: -148.421 flat angles C4'-P-C4' energy: -169.366 flat angles P-C4'-P energy: -90.901 tors. eta vs tors. theta energy: -175.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2261.077925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.077925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.077925 (E_RNA) where: Base-Base interactions energy: -1566.894 where: short stacking energy: -665.798 Base-Backbone interact. energy: -0.862 local terms energy: -693.321974 where: bonds (distance) C4'-P energy: -135.323 bonds (distance) P-C4' energy: -125.405 flat angles C4'-P-C4' energy: -149.354 flat angles P-C4'-P energy: -112.650 tors. eta vs tors. theta energy: -170.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2227.496496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.496496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.496496 (E_RNA) where: Base-Base interactions energy: -1508.364 where: short stacking energy: -674.850 Base-Backbone interact. energy: -0.637 local terms energy: -718.739639 where: bonds (distance) C4'-P energy: -125.449 bonds (distance) P-C4' energy: -136.982 flat angles C4'-P-C4' energy: -152.708 flat angles P-C4'-P energy: -99.629 tors. eta vs tors. theta energy: -203.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.244 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2058.713132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.713132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.713132 (E_RNA) where: Base-Base interactions energy: -1381.686 where: short stacking energy: -590.081 Base-Backbone interact. energy: -5.704 local terms energy: -671.322779 where: bonds (distance) C4'-P energy: -131.533 bonds (distance) P-C4' energy: -134.969 flat angles C4'-P-C4' energy: -160.562 flat angles P-C4'-P energy: -93.037 tors. eta vs tors. theta energy: -151.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1808.094636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.094636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.094636 (E_RNA) where: Base-Base interactions energy: -1174.512 where: short stacking energy: -506.869 Base-Backbone interact. energy: -1.339 local terms energy: -632.243149 where: bonds (distance) C4'-P energy: -107.011 bonds (distance) P-C4' energy: -132.695 flat angles C4'-P-C4' energy: -143.895 flat angles P-C4'-P energy: -99.603 tors. eta vs tors. theta energy: -149.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1607.596224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.596224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.596224 (E_RNA) where: Base-Base interactions energy: -1043.601 where: short stacking energy: -440.321 Base-Backbone interact. energy: -3.022 local terms energy: -560.973839 where: bonds (distance) C4'-P energy: -123.841 bonds (distance) P-C4' energy: -123.634 flat angles C4'-P-C4' energy: -128.923 flat angles P-C4'-P energy: -78.346 tors. eta vs tors. theta energy: -106.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1237.039571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.039571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.039571 (E_RNA) where: Base-Base interactions energy: -715.853 where: short stacking energy: -345.060 Base-Backbone interact. energy: -1.059 local terms energy: -520.127025 where: bonds (distance) C4'-P energy: -109.560 bonds (distance) P-C4' energy: -153.650 flat angles C4'-P-C4' energy: -118.035 flat angles P-C4'-P energy: -76.787 tors. eta vs tors. theta energy: -62.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -946.056246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.056246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.056246 (E_RNA) where: Base-Base interactions energy: -492.558 where: short stacking energy: -280.592 Base-Backbone interact. energy: 4.055 local terms energy: -457.553245 where: bonds (distance) C4'-P energy: -119.503 bonds (distance) P-C4' energy: -125.940 flat angles C4'-P-C4' energy: -120.770 flat angles P-C4'-P energy: -71.266 tors. eta vs tors. theta energy: -20.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -578.569173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.569173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.569173 (E_RNA) where: Base-Base interactions energy: -208.909 where: short stacking energy: -179.872 Base-Backbone interact. energy: 2.415 local terms energy: -372.074772 where: bonds (distance) C4'-P energy: -112.010 bonds (distance) P-C4' energy: -135.611 flat angles C4'-P-C4' energy: -84.939 flat angles P-C4'-P energy: -56.641 tors. eta vs tors. theta energy: 17.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2577.075375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.075375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.075375 (E_RNA) where: Base-Base interactions energy: -1776.724 where: short stacking energy: -792.762 Base-Backbone interact. energy: 0.231 local terms energy: -800.582037 where: bonds (distance) C4'-P energy: -151.771 bonds (distance) P-C4' energy: -144.056 flat angles C4'-P-C4' energy: -164.856 flat angles P-C4'-P energy: -109.045 tors. eta vs tors. theta energy: -230.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2408.896693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.896693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.896693 (E_RNA) where: Base-Base interactions energy: -1664.305 where: short stacking energy: -688.298 Base-Backbone interact. energy: -2.425 local terms energy: -742.167449 where: bonds (distance) C4'-P energy: -144.906 bonds (distance) P-C4' energy: -143.299 flat angles C4'-P-C4' energy: -167.407 flat angles P-C4'-P energy: -102.609 tors. eta vs tors. theta energy: -183.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2287.080191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.080191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.080191 (E_RNA) where: Base-Base interactions energy: -1563.905 where: short stacking energy: -672.110 Base-Backbone interact. energy: -1.860 local terms energy: -721.314929 where: bonds (distance) C4'-P energy: -141.632 bonds (distance) P-C4' energy: -150.006 flat angles C4'-P-C4' energy: -156.347 flat angles P-C4'-P energy: -95.605 tors. eta vs tors. theta energy: -177.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2223.689468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.689468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.689468 (E_RNA) where: Base-Base interactions energy: -1510.429 where: short stacking energy: -633.817 Base-Backbone interact. energy: -1.399 local terms energy: -711.861578 where: bonds (distance) C4'-P energy: -136.170 bonds (distance) P-C4' energy: -144.792 flat angles C4'-P-C4' energy: -148.211 flat angles P-C4'-P energy: -85.344 tors. eta vs tors. theta energy: -197.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2026.100986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.100986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.100986 (E_RNA) where: Base-Base interactions energy: -1399.385 where: short stacking energy: -580.156 Base-Backbone interact. energy: -0.177 local terms energy: -626.538511 where: bonds (distance) C4'-P energy: -107.864 bonds (distance) P-C4' energy: -145.999 flat angles C4'-P-C4' energy: -142.072 flat angles P-C4'-P energy: -85.847 tors. eta vs tors. theta energy: -144.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1852.848240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.848240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.848240 (E_RNA) where: Base-Base interactions energy: -1233.560 where: short stacking energy: -503.805 Base-Backbone interact. energy: -3.623 local terms energy: -615.665295 where: bonds (distance) C4'-P energy: -125.239 bonds (distance) P-C4' energy: -145.572 flat angles C4'-P-C4' energy: -128.508 flat angles P-C4'-P energy: -85.824 tors. eta vs tors. theta energy: -130.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1604.720953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.720953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.720953 (E_RNA) where: Base-Base interactions energy: -1019.277 where: short stacking energy: -457.078 Base-Backbone interact. energy: -3.066 local terms energy: -582.378420 where: bonds (distance) C4'-P energy: -133.993 bonds (distance) P-C4' energy: -142.282 flat angles C4'-P-C4' energy: -126.141 flat angles P-C4'-P energy: -83.767 tors. eta vs tors. theta energy: -96.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1216.682653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.682653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.682653 (E_RNA) where: Base-Base interactions energy: -724.778 where: short stacking energy: -344.216 Base-Backbone interact. energy: 1.868 local terms energy: -493.772317 where: bonds (distance) C4'-P energy: -111.019 bonds (distance) P-C4' energy: -127.529 flat angles C4'-P-C4' energy: -128.783 flat angles P-C4'-P energy: -74.245 tors. eta vs tors. theta energy: -52.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -926.313984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.313984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.313984 (E_RNA) where: Base-Base interactions energy: -497.151 where: short stacking energy: -282.671 Base-Backbone interact. energy: -5.096 local terms energy: -424.067049 where: bonds (distance) C4'-P energy: -112.079 bonds (distance) P-C4' energy: -127.130 flat angles C4'-P-C4' energy: -98.389 flat angles P-C4'-P energy: -72.687 tors. eta vs tors. theta energy: -13.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -566.603573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.603573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.603573 (E_RNA) where: Base-Base interactions energy: -196.928 where: short stacking energy: -161.573 Base-Backbone interact. energy: -2.754 local terms energy: -368.714833 where: bonds (distance) C4'-P energy: -112.393 bonds (distance) P-C4' energy: -124.402 flat angles C4'-P-C4' energy: -107.189 flat angles P-C4'-P energy: -40.734 tors. eta vs tors. theta energy: 16.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.793 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2615.027768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.027768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.027768 (E_RNA) where: Base-Base interactions energy: -1782.478 where: short stacking energy: -802.657 Base-Backbone interact. energy: -3.240 local terms energy: -829.310042 where: bonds (distance) C4'-P energy: -150.238 bonds (distance) P-C4' energy: -162.519 flat angles C4'-P-C4' energy: -174.043 flat angles P-C4'-P energy: -107.098 tors. eta vs tors. theta energy: -235.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2395.328613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.328613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.328613 (E_RNA) where: Base-Base interactions energy: -1653.370 where: short stacking energy: -674.501 Base-Backbone interact. energy: -2.824 local terms energy: -739.134841 where: bonds (distance) C4'-P energy: -141.040 bonds (distance) P-C4' energy: -146.342 flat angles C4'-P-C4' energy: -161.842 flat angles P-C4'-P energy: -113.593 tors. eta vs tors. theta energy: -176.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2332.190854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.190854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.190854 (E_RNA) where: Base-Base interactions energy: -1578.866 where: short stacking energy: -672.535 Base-Backbone interact. energy: -2.282 local terms energy: -751.043005 where: bonds (distance) C4'-P energy: -134.051 bonds (distance) P-C4' energy: -138.332 flat angles C4'-P-C4' energy: -160.296 flat angles P-C4'-P energy: -119.320 tors. eta vs tors. theta energy: -199.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2203.757352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.757352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.757352 (E_RNA) where: Base-Base interactions energy: -1503.120 where: short stacking energy: -639.162 Base-Backbone interact. energy: 0.582 local terms energy: -701.219438 where: bonds (distance) C4'-P energy: -120.440 bonds (distance) P-C4' energy: -151.766 flat angles C4'-P-C4' energy: -161.017 flat angles P-C4'-P energy: -104.537 tors. eta vs tors. theta energy: -163.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2016.658167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.658167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.658167 (E_RNA) where: Base-Base interactions energy: -1340.113 where: short stacking energy: -596.191 Base-Backbone interact. energy: -2.615 local terms energy: -673.930900 where: bonds (distance) C4'-P energy: -133.552 bonds (distance) P-C4' energy: -130.645 flat angles C4'-P-C4' energy: -153.476 flat angles P-C4'-P energy: -101.104 tors. eta vs tors. theta energy: -155.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1876.571824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.571824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.571824 (E_RNA) where: Base-Base interactions energy: -1263.287 where: short stacking energy: -556.509 Base-Backbone interact. energy: -1.310 local terms energy: -611.974838 where: bonds (distance) C4'-P energy: -106.008 bonds (distance) P-C4' energy: -126.684 flat angles C4'-P-C4' energy: -141.426 flat angles P-C4'-P energy: -86.402 tors. eta vs tors. theta energy: -151.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1589.943862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.943862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.943862 (E_RNA) where: Base-Base interactions energy: -1028.681 where: short stacking energy: -475.121 Base-Backbone interact. energy: -3.676 local terms energy: -557.586268 where: bonds (distance) C4'-P energy: -128.209 bonds (distance) P-C4' energy: -134.402 flat angles C4'-P-C4' energy: -120.005 flat angles P-C4'-P energy: -83.207 tors. eta vs tors. theta energy: -91.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1225.163309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.163309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.163309 (E_RNA) where: Base-Base interactions energy: -725.511 where: short stacking energy: -384.648 Base-Backbone interact. energy: 0.873 local terms energy: -500.525626 where: bonds (distance) C4'-P energy: -137.999 bonds (distance) P-C4' energy: -116.078 flat angles C4'-P-C4' energy: -118.665 flat angles P-C4'-P energy: -65.894 tors. eta vs tors. theta energy: -61.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -907.095956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.095956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.095956 (E_RNA) where: Base-Base interactions energy: -450.660 where: short stacking energy: -262.768 Base-Backbone interact. energy: 0.081 local terms energy: -456.517273 where: bonds (distance) C4'-P energy: -132.726 bonds (distance) P-C4' energy: -133.943 flat angles C4'-P-C4' energy: -112.480 flat angles P-C4'-P energy: -59.743 tors. eta vs tors. theta energy: -17.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -599.604512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.604512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.604512 (E_RNA) where: Base-Base interactions energy: -225.280 where: short stacking energy: -168.886 Base-Backbone interact. energy: 3.326 local terms energy: -377.650640 where: bonds (distance) C4'-P energy: -116.848 bonds (distance) P-C4' energy: -130.719 flat angles C4'-P-C4' energy: -112.718 flat angles P-C4'-P energy: -64.651 tors. eta vs tors. theta energy: 47.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2550.670485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.670485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.670485 (E_RNA) where: Base-Base interactions energy: -1760.002 where: short stacking energy: -739.491 Base-Backbone interact. energy: -1.575 local terms energy: -789.092847 where: bonds (distance) C4'-P energy: -129.806 bonds (distance) P-C4' energy: -163.506 flat angles C4'-P-C4' energy: -170.652 flat angles P-C4'-P energy: -103.616 tors. eta vs tors. theta energy: -221.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2423.350409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.350409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.350409 (E_RNA) where: Base-Base interactions energy: -1641.923 where: short stacking energy: -693.442 Base-Backbone interact. energy: 0.784 local terms energy: -782.211363 where: bonds (distance) C4'-P energy: -148.718 bonds (distance) P-C4' energy: -158.562 flat angles C4'-P-C4' energy: -171.760 flat angles P-C4'-P energy: -115.008 tors. eta vs tors. theta energy: -188.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2344.096615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.096615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.096615 (E_RNA) where: Base-Base interactions energy: -1593.409 where: short stacking energy: -697.189 Base-Backbone interact. energy: -1.906 local terms energy: -748.782001 where: bonds (distance) C4'-P energy: -137.308 bonds (distance) P-C4' energy: -134.354 flat angles C4'-P-C4' energy: -162.117 flat angles P-C4'-P energy: -105.874 tors. eta vs tors. theta energy: -209.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2142.964917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.964917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.964917 (E_RNA) where: Base-Base interactions energy: -1452.697 where: short stacking energy: -593.368 Base-Backbone interact. energy: -0.008 local terms energy: -690.259797 where: bonds (distance) C4'-P energy: -146.392 bonds (distance) P-C4' energy: -135.514 flat angles C4'-P-C4' energy: -153.041 flat angles P-C4'-P energy: -107.510 tors. eta vs tors. theta energy: -147.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1967.170027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.170027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.170027 (E_RNA) where: Base-Base interactions energy: -1294.465 where: short stacking energy: -575.318 Base-Backbone interact. energy: -2.871 local terms energy: -669.834211 where: bonds (distance) C4'-P energy: -128.597 bonds (distance) P-C4' energy: -160.060 flat angles C4'-P-C4' energy: -149.392 flat angles P-C4'-P energy: -85.360 tors. eta vs tors. theta energy: -146.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1872.150168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.150168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.150168 (E_RNA) where: Base-Base interactions energy: -1269.603 where: short stacking energy: -523.221 Base-Backbone interact. energy: -0.414 local terms energy: -602.132412 where: bonds (distance) C4'-P energy: -118.404 bonds (distance) P-C4' energy: -135.135 flat angles C4'-P-C4' energy: -140.958 flat angles P-C4'-P energy: -75.014 tors. eta vs tors. theta energy: -132.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1616.206548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.206548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.206548 (E_RNA) where: Base-Base interactions energy: -1050.115 where: short stacking energy: -471.945 Base-Backbone interact. energy: -3.711 local terms energy: -562.379855 where: bonds (distance) C4'-P energy: -128.768 bonds (distance) P-C4' energy: -115.006 flat angles C4'-P-C4' energy: -132.429 flat angles P-C4'-P energy: -73.590 tors. eta vs tors. theta energy: -112.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1280.177028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.177028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.177028 (E_RNA) where: Base-Base interactions energy: -764.643 where: short stacking energy: -385.549 Base-Backbone interact. energy: 0.193 local terms energy: -515.726370 where: bonds (distance) C4'-P energy: -107.258 bonds (distance) P-C4' energy: -120.956 flat angles C4'-P-C4' energy: -127.610 flat angles P-C4'-P energy: -83.885 tors. eta vs tors. theta energy: -76.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -915.548662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.548662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.548662 (E_RNA) where: Base-Base interactions energy: -460.714 where: short stacking energy: -236.200 Base-Backbone interact. energy: -0.074 local terms energy: -454.760322 where: bonds (distance) C4'-P energy: -123.184 bonds (distance) P-C4' energy: -116.545 flat angles C4'-P-C4' energy: -128.741 flat angles P-C4'-P energy: -73.279 tors. eta vs tors. theta energy: -13.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -575.144581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.144581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.144581 (E_RNA) where: Base-Base interactions energy: -191.682 where: short stacking energy: -162.836 Base-Backbone interact. energy: 1.335 local terms energy: -384.797316 where: bonds (distance) C4'-P energy: -119.434 bonds (distance) P-C4' energy: -122.747 flat angles C4'-P-C4' energy: -102.479 flat angles P-C4'-P energy: -59.359 tors. eta vs tors. theta energy: 19.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2577.052253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.052253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.052253 (E_RNA) where: Base-Base interactions energy: -1775.751 where: short stacking energy: -751.782 Base-Backbone interact. energy: -0.707 local terms energy: -800.594669 where: bonds (distance) C4'-P energy: -149.330 bonds (distance) P-C4' energy: -142.169 flat angles C4'-P-C4' energy: -167.085 flat angles P-C4'-P energy: -113.827 tors. eta vs tors. theta energy: -228.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2375.915505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.915505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.915505 (E_RNA) where: Base-Base interactions energy: -1636.843 where: short stacking energy: -669.476 Base-Backbone interact. energy: 6.565 local terms energy: -745.637718 where: bonds (distance) C4'-P energy: -141.421 bonds (distance) P-C4' energy: -157.551 flat angles C4'-P-C4' energy: -158.085 flat angles P-C4'-P energy: -108.284 tors. eta vs tors. theta energy: -180.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2359.970511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.970511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.970511 (E_RNA) where: Base-Base interactions energy: -1575.440 where: short stacking energy: -707.450 Base-Backbone interact. energy: -2.743 local terms energy: -781.788023 where: bonds (distance) C4'-P energy: -128.571 bonds (distance) P-C4' energy: -152.115 flat angles C4'-P-C4' energy: -172.798 flat angles P-C4'-P energy: -117.869 tors. eta vs tors. theta energy: -210.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2141.388751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.388751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.388751 (E_RNA) where: Base-Base interactions energy: -1459.416 where: short stacking energy: -624.199 Base-Backbone interact. energy: 2.750 local terms energy: -684.722821 where: bonds (distance) C4'-P energy: -131.472 bonds (distance) P-C4' energy: -140.913 flat angles C4'-P-C4' energy: -154.874 flat angles P-C4'-P energy: -99.264 tors. eta vs tors. theta energy: -158.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1999.594639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.594639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.594639 (E_RNA) where: Base-Base interactions energy: -1326.139 where: short stacking energy: -592.080 Base-Backbone interact. energy: -0.299 local terms energy: -673.156624 where: bonds (distance) C4'-P energy: -129.763 bonds (distance) P-C4' energy: -123.339 flat angles C4'-P-C4' energy: -161.997 flat angles P-C4'-P energy: -94.764 tors. eta vs tors. theta energy: -163.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1858.738775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.738775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.738775 (E_RNA) where: Base-Base interactions energy: -1236.238 where: short stacking energy: -533.595 Base-Backbone interact. energy: -1.480 local terms energy: -621.021758 where: bonds (distance) C4'-P energy: -130.277 bonds (distance) P-C4' energy: -128.545 flat angles C4'-P-C4' energy: -142.353 flat angles P-C4'-P energy: -87.520 tors. eta vs tors. theta energy: -132.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1612.508474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.508474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.508474 (E_RNA) where: Base-Base interactions energy: -1066.621 where: short stacking energy: -473.923 Base-Backbone interact. energy: 6.875 local terms energy: -552.762160 where: bonds (distance) C4'-P energy: -119.611 bonds (distance) P-C4' energy: -127.990 flat angles C4'-P-C4' energy: -124.875 flat angles P-C4'-P energy: -74.873 tors. eta vs tors. theta energy: -105.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1248.790285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.790285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.790285 (E_RNA) where: Base-Base interactions energy: -759.660 where: short stacking energy: -359.214 Base-Backbone interact. energy: 2.260 local terms energy: -491.389935 where: bonds (distance) C4'-P energy: -137.420 bonds (distance) P-C4' energy: -124.785 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -57.205 tors. eta vs tors. theta energy: -58.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -930.607941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.607941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.607941 (E_RNA) where: Base-Base interactions energy: -515.229 where: short stacking energy: -253.926 Base-Backbone interact. energy: 3.490 local terms energy: -418.868641 where: bonds (distance) C4'-P energy: -112.084 bonds (distance) P-C4' energy: -121.680 flat angles C4'-P-C4' energy: -108.380 flat angles P-C4'-P energy: -62.922 tors. eta vs tors. theta energy: -13.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -560.455888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.455888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.455888 (E_RNA) where: Base-Base interactions energy: -190.439 where: short stacking energy: -157.777 Base-Backbone interact. energy: 8.002 local terms energy: -378.018498 where: bonds (distance) C4'-P energy: -128.011 bonds (distance) P-C4' energy: -127.288 flat angles C4'-P-C4' energy: -98.024 flat angles P-C4'-P energy: -57.893 tors. eta vs tors. theta energy: 33.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2559.718403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.718403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.718403 (E_RNA) where: Base-Base interactions energy: -1781.022 where: short stacking energy: -757.083 Base-Backbone interact. energy: 2.765 local terms energy: -781.460985 where: bonds (distance) C4'-P energy: -145.695 bonds (distance) P-C4' energy: -149.072 flat angles C4'-P-C4' energy: -181.583 flat angles P-C4'-P energy: -91.252 tors. eta vs tors. theta energy: -213.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2386.134615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.134615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.134615 (E_RNA) where: Base-Base interactions energy: -1641.128 where: short stacking energy: -682.250 Base-Backbone interact. energy: -2.320 local terms energy: -742.686777 where: bonds (distance) C4'-P energy: -129.078 bonds (distance) P-C4' energy: -147.166 flat angles C4'-P-C4' energy: -172.849 flat angles P-C4'-P energy: -108.185 tors. eta vs tors. theta energy: -185.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2346.284015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.284015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.284015 (E_RNA) where: Base-Base interactions energy: -1616.524 where: short stacking energy: -726.293 Base-Backbone interact. energy: -3.581 local terms energy: -726.178804 where: bonds (distance) C4'-P energy: -120.630 bonds (distance) P-C4' energy: -134.861 flat angles C4'-P-C4' energy: -166.823 flat angles P-C4'-P energy: -99.662 tors. eta vs tors. theta energy: -204.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2131.835362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.835362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.835362 (E_RNA) where: Base-Base interactions energy: -1444.280 where: short stacking energy: -598.110 Base-Backbone interact. energy: 1.909 local terms energy: -689.464808 where: bonds (distance) C4'-P energy: -130.519 bonds (distance) P-C4' energy: -136.785 flat angles C4'-P-C4' energy: -158.723 flat angles P-C4'-P energy: -100.347 tors. eta vs tors. theta energy: -163.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1936.634019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.634019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.634019 (E_RNA) where: Base-Base interactions energy: -1268.353 where: short stacking energy: -536.064 Base-Backbone interact. energy: -2.730 local terms energy: -665.550905 where: bonds (distance) C4'-P energy: -126.006 bonds (distance) P-C4' energy: -135.401 flat angles C4'-P-C4' energy: -158.170 flat angles P-C4'-P energy: -108.868 tors. eta vs tors. theta energy: -137.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1831.835427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.835427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.835427 (E_RNA) where: Base-Base interactions energy: -1235.279 where: short stacking energy: -541.471 Base-Backbone interact. energy: 4.328 local terms energy: -600.884160 where: bonds (distance) C4'-P energy: -111.060 bonds (distance) P-C4' energy: -133.293 flat angles C4'-P-C4' energy: -128.970 flat angles P-C4'-P energy: -82.827 tors. eta vs tors. theta energy: -144.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1631.346236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.346236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.346236 (E_RNA) where: Base-Base interactions energy: -1056.133 where: short stacking energy: -443.910 Base-Backbone interact. energy: -3.753 local terms energy: -571.460098 where: bonds (distance) C4'-P energy: -124.685 bonds (distance) P-C4' energy: -138.461 flat angles C4'-P-C4' energy: -128.452 flat angles P-C4'-P energy: -83.431 tors. eta vs tors. theta energy: -96.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1231.950175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.950175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.950175 (E_RNA) where: Base-Base interactions energy: -745.098 where: short stacking energy: -340.272 Base-Backbone interact. energy: 0.755 local terms energy: -487.606816 where: bonds (distance) C4'-P energy: -118.034 bonds (distance) P-C4' energy: -109.208 flat angles C4'-P-C4' energy: -130.507 flat angles P-C4'-P energy: -65.189 tors. eta vs tors. theta energy: -64.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -949.186262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.186262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.186262 (E_RNA) where: Base-Base interactions energy: -518.275 where: short stacking energy: -279.184 Base-Backbone interact. energy: -1.866 local terms energy: -429.045554 where: bonds (distance) C4'-P energy: -124.146 bonds (distance) P-C4' energy: -125.070 flat angles C4'-P-C4' energy: -96.357 flat angles P-C4'-P energy: -61.569 tors. eta vs tors. theta energy: -21.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -559.272125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.272125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.272125 (E_RNA) where: Base-Base interactions energy: -164.346 where: short stacking energy: -139.765 Base-Backbone interact. energy: -1.822 local terms energy: -393.103518 where: bonds (distance) C4'-P energy: -134.219 bonds (distance) P-C4' energy: -114.734 flat angles C4'-P-C4' energy: -97.925 flat angles P-C4'-P energy: -54.035 tors. eta vs tors. theta energy: 7.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2553.371550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.371550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.371550 (E_RNA) where: Base-Base interactions energy: -1773.041 where: short stacking energy: -771.006 Base-Backbone interact. energy: -2.128 local terms energy: -778.202204 where: bonds (distance) C4'-P energy: -133.000 bonds (distance) P-C4' energy: -145.919 flat angles C4'-P-C4' energy: -170.285 flat angles P-C4'-P energy: -105.229 tors. eta vs tors. theta energy: -223.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2401.086946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.086946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.086946 (E_RNA) where: Base-Base interactions energy: -1648.486 where: short stacking energy: -698.367 Base-Backbone interact. energy: -0.709 local terms energy: -751.892295 where: bonds (distance) C4'-P energy: -140.150 bonds (distance) P-C4' energy: -161.770 flat angles C4'-P-C4' energy: -161.584 flat angles P-C4'-P energy: -96.090 tors. eta vs tors. theta energy: -192.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2299.850246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.850246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.850246 (E_RNA) where: Base-Base interactions energy: -1539.900 where: short stacking energy: -702.116 Base-Backbone interact. energy: -3.492 local terms energy: -756.458180 where: bonds (distance) C4'-P energy: -144.759 bonds (distance) P-C4' energy: -134.545 flat angles C4'-P-C4' energy: -165.291 flat angles P-C4'-P energy: -96.347 tors. eta vs tors. theta energy: -215.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2128.153261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.153261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.153261 (E_RNA) where: Base-Base interactions energy: -1459.781 where: short stacking energy: -610.920 Base-Backbone interact. energy: -0.999 local terms energy: -667.372631 where: bonds (distance) C4'-P energy: -134.776 bonds (distance) P-C4' energy: -128.730 flat angles C4'-P-C4' energy: -156.154 flat angles P-C4'-P energy: -88.538 tors. eta vs tors. theta energy: -159.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1982.659856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.659856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.659856 (E_RNA) where: Base-Base interactions energy: -1297.855 where: short stacking energy: -551.690 Base-Backbone interact. energy: -1.342 local terms energy: -683.849413 where: bonds (distance) C4'-P energy: -153.374 bonds (distance) P-C4' energy: -138.335 flat angles C4'-P-C4' energy: -155.831 flat angles P-C4'-P energy: -83.603 tors. eta vs tors. theta energy: -152.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.387 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1900.109039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.109039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.109039 (E_RNA) where: Base-Base interactions energy: -1296.281 where: short stacking energy: -576.146 Base-Backbone interact. energy: 1.057 local terms energy: -604.885144 where: bonds (distance) C4'-P energy: -126.036 bonds (distance) P-C4' energy: -118.966 flat angles C4'-P-C4' energy: -134.949 flat angles P-C4'-P energy: -76.451 tors. eta vs tors. theta energy: -148.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1605.752027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.752027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.752027 (E_RNA) where: Base-Base interactions energy: -1009.443 where: short stacking energy: -472.418 Base-Backbone interact. energy: -1.221 local terms energy: -595.088310 where: bonds (distance) C4'-P energy: -112.068 bonds (distance) P-C4' energy: -147.280 flat angles C4'-P-C4' energy: -126.989 flat angles P-C4'-P energy: -97.898 tors. eta vs tors. theta energy: -110.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1290.758460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.758460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.758460 (E_RNA) where: Base-Base interactions energy: -793.212 where: short stacking energy: -384.114 Base-Backbone interact. energy: -2.379 local terms energy: -495.168155 where: bonds (distance) C4'-P energy: -118.177 bonds (distance) P-C4' energy: -113.180 flat angles C4'-P-C4' energy: -124.258 flat angles P-C4'-P energy: -81.346 tors. eta vs tors. theta energy: -58.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -880.847493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.847493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.847493 (E_RNA) where: Base-Base interactions energy: -463.631 where: short stacking energy: -258.212 Base-Backbone interact. energy: -0.142 local terms energy: -417.074797 where: bonds (distance) C4'-P energy: -107.637 bonds (distance) P-C4' energy: -122.817 flat angles C4'-P-C4' energy: -104.336 flat angles P-C4'-P energy: -77.933 tors. eta vs tors. theta energy: -4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -578.625235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.625235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.625235 (E_RNA) where: Base-Base interactions energy: -193.848 where: short stacking energy: -139.959 Base-Backbone interact. energy: 0.428 local terms energy: -385.205170 where: bonds (distance) C4'-P energy: -115.977 bonds (distance) P-C4' energy: -119.691 flat angles C4'-P-C4' energy: -100.975 flat angles P-C4'-P energy: -75.175 tors. eta vs tors. theta energy: 26.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2566.301176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.301176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.301176 (E_RNA) where: Base-Base interactions energy: -1754.262 where: short stacking energy: -755.364 Base-Backbone interact. energy: -4.664 local terms energy: -807.375448 where: bonds (distance) C4'-P energy: -145.353 bonds (distance) P-C4' energy: -143.306 flat angles C4'-P-C4' energy: -174.954 flat angles P-C4'-P energy: -107.348 tors. eta vs tors. theta energy: -236.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2379.348903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.348903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.348903 (E_RNA) where: Base-Base interactions energy: -1637.702 where: short stacking energy: -684.751 Base-Backbone interact. energy: -2.007 local terms energy: -739.640071 where: bonds (distance) C4'-P energy: -129.115 bonds (distance) P-C4' energy: -145.106 flat angles C4'-P-C4' energy: -169.909 flat angles P-C4'-P energy: -110.726 tors. eta vs tors. theta energy: -184.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2330.634100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.634100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.634100 (E_RNA) where: Base-Base interactions energy: -1587.432 where: short stacking energy: -714.621 Base-Backbone interact. energy: -2.022 local terms energy: -741.574367 where: bonds (distance) C4'-P energy: -147.775 bonds (distance) P-C4' energy: -139.275 flat angles C4'-P-C4' energy: -152.800 flat angles P-C4'-P energy: -98.510 tors. eta vs tors. theta energy: -203.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.394 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2100.665243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.665243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.665243 (E_RNA) where: Base-Base interactions energy: -1460.515 where: short stacking energy: -606.496 Base-Backbone interact. energy: -4.346 local terms energy: -635.803890 where: bonds (distance) C4'-P energy: -128.930 bonds (distance) P-C4' energy: -123.801 flat angles C4'-P-C4' energy: -125.840 flat angles P-C4'-P energy: -93.399 tors. eta vs tors. theta energy: -163.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1980.431624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.431624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.431624 (E_RNA) where: Base-Base interactions energy: -1302.951 where: short stacking energy: -589.888 Base-Backbone interact. energy: -3.309 local terms energy: -674.171682 where: bonds (distance) C4'-P energy: -126.871 bonds (distance) P-C4' energy: -140.615 flat angles C4'-P-C4' energy: -142.856 flat angles P-C4'-P energy: -109.960 tors. eta vs tors. theta energy: -153.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1898.059437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.059437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.059437 (E_RNA) where: Base-Base interactions energy: -1261.419 where: short stacking energy: -590.705 Base-Backbone interact. energy: -3.174 local terms energy: -633.466561 where: bonds (distance) C4'-P energy: -121.291 bonds (distance) P-C4' energy: -137.589 flat angles C4'-P-C4' energy: -138.859 flat angles P-C4'-P energy: -81.489 tors. eta vs tors. theta energy: -154.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1627.470003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.470003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.470003 (E_RNA) where: Base-Base interactions energy: -1043.479 where: short stacking energy: -500.374 Base-Backbone interact. energy: 1.181 local terms energy: -585.171764 where: bonds (distance) C4'-P energy: -134.404 bonds (distance) P-C4' energy: -135.849 flat angles C4'-P-C4' energy: -125.363 flat angles P-C4'-P energy: -66.205 tors. eta vs tors. theta energy: -123.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1250.462280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.462280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.462280 (E_RNA) where: Base-Base interactions energy: -768.688 where: short stacking energy: -374.676 Base-Backbone interact. energy: 0.252 local terms energy: -482.027107 where: bonds (distance) C4'-P energy: -121.741 bonds (distance) P-C4' energy: -120.555 flat angles C4'-P-C4' energy: -108.455 flat angles P-C4'-P energy: -83.033 tors. eta vs tors. theta energy: -48.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -828.177978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.177978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.177978 (E_RNA) where: Base-Base interactions energy: -376.082 where: short stacking energy: -200.079 Base-Backbone interact. energy: -1.271 local terms energy: -450.825070 where: bonds (distance) C4'-P energy: -115.640 bonds (distance) P-C4' energy: -130.859 flat angles C4'-P-C4' energy: -127.404 flat angles P-C4'-P energy: -66.068 tors. eta vs tors. theta energy: -10.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -601.096627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.096627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.096627 (E_RNA) where: Base-Base interactions energy: -241.561 where: short stacking energy: -149.431 Base-Backbone interact. energy: 0.355 local terms energy: -359.890889 where: bonds (distance) C4'-P energy: -100.023 bonds (distance) P-C4' energy: -118.287 flat angles C4'-P-C4' energy: -100.637 flat angles P-C4'-P energy: -66.776 tors. eta vs tors. theta energy: 25.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2546.615844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.615844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.615844 (E_RNA) where: Base-Base interactions energy: -1735.168 where: short stacking energy: -770.345 Base-Backbone interact. energy: -1.181 local terms energy: -810.266914 where: bonds (distance) C4'-P energy: -144.476 bonds (distance) P-C4' energy: -154.205 flat angles C4'-P-C4' energy: -177.045 flat angles P-C4'-P energy: -113.972 tors. eta vs tors. theta energy: -220.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2370.146877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.146877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.146877 (E_RNA) where: Base-Base interactions energy: -1625.733 where: short stacking energy: -681.080 Base-Backbone interact. energy: -1.486 local terms energy: -742.928033 where: bonds (distance) C4'-P energy: -152.419 bonds (distance) P-C4' energy: -144.697 flat angles C4'-P-C4' energy: -159.574 flat angles P-C4'-P energy: -111.956 tors. eta vs tors. theta energy: -174.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2334.120227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.120227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.120227 (E_RNA) where: Base-Base interactions energy: -1594.712 where: short stacking energy: -697.566 Base-Backbone interact. energy: -1.485 local terms energy: -737.923970 where: bonds (distance) C4'-P energy: -137.409 bonds (distance) P-C4' energy: -145.825 flat angles C4'-P-C4' energy: -149.170 flat angles P-C4'-P energy: -101.097 tors. eta vs tors. theta energy: -204.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2060.733294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.733294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.733294 (E_RNA) where: Base-Base interactions energy: -1389.594 where: short stacking energy: -585.408 Base-Backbone interact. energy: -2.339 local terms energy: -668.800711 where: bonds (distance) C4'-P energy: -139.232 bonds (distance) P-C4' energy: -128.016 flat angles C4'-P-C4' energy: -151.477 flat angles P-C4'-P energy: -99.921 tors. eta vs tors. theta energy: -150.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1989.242154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.242154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.242154 (E_RNA) where: Base-Base interactions energy: -1317.666 where: short stacking energy: -599.045 Base-Backbone interact. energy: -4.211 local terms energy: -667.365131 where: bonds (distance) C4'-P energy: -127.536 bonds (distance) P-C4' energy: -136.099 flat angles C4'-P-C4' energy: -145.378 flat angles P-C4'-P energy: -94.984 tors. eta vs tors. theta energy: -163.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1948.446470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.446470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.446470 (E_RNA) where: Base-Base interactions energy: -1303.753 where: short stacking energy: -577.560 Base-Backbone interact. energy: 3.170 local terms energy: -647.863351 where: bonds (distance) C4'-P energy: -120.170 bonds (distance) P-C4' energy: -139.770 flat angles C4'-P-C4' energy: -136.776 flat angles P-C4'-P energy: -95.470 tors. eta vs tors. theta energy: -155.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1609.750791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.750791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.750791 (E_RNA) where: Base-Base interactions energy: -1017.270 where: short stacking energy: -466.135 Base-Backbone interact. energy: 1.517 local terms energy: -593.997681 where: bonds (distance) C4'-P energy: -124.663 bonds (distance) P-C4' energy: -140.448 flat angles C4'-P-C4' energy: -137.204 flat angles P-C4'-P energy: -87.740 tors. eta vs tors. theta energy: -103.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1231.872662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.872662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.872662 (E_RNA) where: Base-Base interactions energy: -765.115 where: short stacking energy: -377.556 Base-Backbone interact. energy: 5.602 local terms energy: -472.359325 where: bonds (distance) C4'-P energy: -118.076 bonds (distance) P-C4' energy: -109.588 flat angles C4'-P-C4' energy: -124.674 flat angles P-C4'-P energy: -77.492 tors. eta vs tors. theta energy: -42.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -845.029262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.029262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.029262 (E_RNA) where: Base-Base interactions energy: -432.027 where: short stacking energy: -257.072 Base-Backbone interact. energy: 3.717 local terms energy: -416.719258 where: bonds (distance) C4'-P energy: -128.457 bonds (distance) P-C4' energy: -140.143 flat angles C4'-P-C4' energy: -74.235 flat angles P-C4'-P energy: -58.442 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -628.667103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.667103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.667103 (E_RNA) where: Base-Base interactions energy: -252.216 where: short stacking energy: -167.909 Base-Backbone interact. energy: -0.859 local terms energy: -375.591610 where: bonds (distance) C4'-P energy: -114.362 bonds (distance) P-C4' energy: -106.122 flat angles C4'-P-C4' energy: -100.163 flat angles P-C4'-P energy: -75.296 tors. eta vs tors. theta energy: 20.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2599.281949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.281949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.281949 (E_RNA) where: Base-Base interactions energy: -1782.881 where: short stacking energy: -773.717 Base-Backbone interact. energy: -3.206 local terms energy: -813.195827 where: bonds (distance) C4'-P energy: -129.592 bonds (distance) P-C4' energy: -151.203 flat angles C4'-P-C4' energy: -178.488 flat angles P-C4'-P energy: -125.691 tors. eta vs tors. theta energy: -228.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2390.958669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.958669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.958669 (E_RNA) where: Base-Base interactions energy: -1617.651 where: short stacking energy: -662.489 Base-Backbone interact. energy: -0.271 local terms energy: -773.036751 where: bonds (distance) C4'-P energy: -150.950 bonds (distance) P-C4' energy: -160.046 flat angles C4'-P-C4' energy: -169.884 flat angles P-C4'-P energy: -103.779 tors. eta vs tors. theta energy: -188.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2373.761836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.761836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.761836 (E_RNA) where: Base-Base interactions energy: -1609.091 where: short stacking energy: -711.333 Base-Backbone interact. energy: -3.993 local terms energy: -760.677516 where: bonds (distance) C4'-P energy: -131.606 bonds (distance) P-C4' energy: -142.409 flat angles C4'-P-C4' energy: -156.998 flat angles P-C4'-P energy: -112.057 tors. eta vs tors. theta energy: -217.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2126.593213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.593213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.593213 (E_RNA) where: Base-Base interactions energy: -1425.279 where: short stacking energy: -639.600 Base-Backbone interact. energy: 0.894 local terms energy: -702.208429 where: bonds (distance) C4'-P energy: -129.823 bonds (distance) P-C4' energy: -135.498 flat angles C4'-P-C4' energy: -153.064 flat angles P-C4'-P energy: -110.728 tors. eta vs tors. theta energy: -173.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2065.874289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.874289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.874289 (E_RNA) where: Base-Base interactions energy: -1393.303 where: short stacking energy: -578.470 Base-Backbone interact. energy: -1.459 local terms energy: -671.112530 where: bonds (distance) C4'-P energy: -126.101 bonds (distance) P-C4' energy: -147.503 flat angles C4'-P-C4' energy: -148.581 flat angles P-C4'-P energy: -96.842 tors. eta vs tors. theta energy: -152.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1888.490645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.490645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.490645 (E_RNA) where: Base-Base interactions energy: -1274.703 where: short stacking energy: -551.391 Base-Backbone interact. energy: 4.593 local terms energy: -618.381541 where: bonds (distance) C4'-P energy: -123.687 bonds (distance) P-C4' energy: -112.002 flat angles C4'-P-C4' energy: -138.394 flat angles P-C4'-P energy: -103.076 tors. eta vs tors. theta energy: -141.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1608.999364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.999364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.999364 (E_RNA) where: Base-Base interactions energy: -1031.435 where: short stacking energy: -464.987 Base-Backbone interact. energy: -0.485 local terms energy: -577.079157 where: bonds (distance) C4'-P energy: -132.124 bonds (distance) P-C4' energy: -112.311 flat angles C4'-P-C4' energy: -129.064 flat angles P-C4'-P energy: -87.213 tors. eta vs tors. theta energy: -116.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1197.220405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.220405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.220405 (E_RNA) where: Base-Base interactions energy: -690.511 where: short stacking energy: -313.122 Base-Backbone interact. energy: 0.885 local terms energy: -507.594328 where: bonds (distance) C4'-P energy: -132.171 bonds (distance) P-C4' energy: -129.657 flat angles C4'-P-C4' energy: -120.500 flat angles P-C4'-P energy: -79.016 tors. eta vs tors. theta energy: -46.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -890.070816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.070816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.070816 (E_RNA) where: Base-Base interactions energy: -461.611 where: short stacking energy: -259.981 Base-Backbone interact. energy: -2.425 local terms energy: -426.035444 where: bonds (distance) C4'-P energy: -114.735 bonds (distance) P-C4' energy: -124.094 flat angles C4'-P-C4' energy: -129.107 flat angles P-C4'-P energy: -66.924 tors. eta vs tors. theta energy: 8.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -569.221190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.221190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.221190 (E_RNA) where: Base-Base interactions energy: -183.145 where: short stacking energy: -156.223 Base-Backbone interact. energy: 3.408 local terms energy: -389.483516 where: bonds (distance) C4'-P energy: -115.034 bonds (distance) P-C4' energy: -130.956 flat angles C4'-P-C4' energy: -98.439 flat angles P-C4'-P energy: -74.885 tors. eta vs tors. theta energy: 29.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2550.647519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.647519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.647519 (E_RNA) where: Base-Base interactions energy: -1746.636 where: short stacking energy: -765.340 Base-Backbone interact. energy: -1.898 local terms energy: -802.113506 where: bonds (distance) C4'-P energy: -143.236 bonds (distance) P-C4' energy: -130.458 flat angles C4'-P-C4' energy: -169.980 flat angles P-C4'-P energy: -134.477 tors. eta vs tors. theta energy: -223.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2361.125305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.125305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.125305 (E_RNA) where: Base-Base interactions energy: -1624.125 where: short stacking energy: -671.675 Base-Backbone interact. energy: -1.307 local terms energy: -735.692837 where: bonds (distance) C4'-P energy: -132.742 bonds (distance) P-C4' energy: -147.986 flat angles C4'-P-C4' energy: -167.330 flat angles P-C4'-P energy: -103.361 tors. eta vs tors. theta energy: -184.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2380.222735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.222735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.222735 (E_RNA) where: Base-Base interactions energy: -1623.606 where: short stacking energy: -711.296 Base-Backbone interact. energy: -2.985 local terms energy: -753.631669 where: bonds (distance) C4'-P energy: -146.577 bonds (distance) P-C4' energy: -141.440 flat angles C4'-P-C4' energy: -153.799 flat angles P-C4'-P energy: -102.551 tors. eta vs tors. theta energy: -209.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2050.761254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.761254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.761254 (E_RNA) where: Base-Base interactions energy: -1344.453 where: short stacking energy: -571.972 Base-Backbone interact. energy: -1.746 local terms energy: -704.562814 where: bonds (distance) C4'-P energy: -127.838 bonds (distance) P-C4' energy: -159.940 flat angles C4'-P-C4' energy: -160.418 flat angles P-C4'-P energy: -99.152 tors. eta vs tors. theta energy: -157.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1981.600461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.600461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.600461 (E_RNA) where: Base-Base interactions energy: -1339.789 where: short stacking energy: -575.728 Base-Backbone interact. energy: -0.814 local terms energy: -640.997158 where: bonds (distance) C4'-P energy: -131.327 bonds (distance) P-C4' energy: -141.917 flat angles C4'-P-C4' energy: -140.558 flat angles P-C4'-P energy: -85.685 tors. eta vs tors. theta energy: -141.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1915.914938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.914938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.914938 (E_RNA) where: Base-Base interactions energy: -1264.196 where: short stacking energy: -554.252 Base-Backbone interact. energy: -1.155 local terms energy: -650.563136 where: bonds (distance) C4'-P energy: -128.891 bonds (distance) P-C4' energy: -130.951 flat angles C4'-P-C4' energy: -145.509 flat angles P-C4'-P energy: -104.504 tors. eta vs tors. theta energy: -140.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1610.994923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.994923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.994923 (E_RNA) where: Base-Base interactions energy: -999.764 where: short stacking energy: -451.374 Base-Backbone interact. energy: 3.725 local terms energy: -614.956020 where: bonds (distance) C4'-P energy: -113.465 bonds (distance) P-C4' energy: -149.491 flat angles C4'-P-C4' energy: -141.640 flat angles P-C4'-P energy: -99.084 tors. eta vs tors. theta energy: -111.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1189.922213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.922213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.922213 (E_RNA) where: Base-Base interactions energy: -716.194 where: short stacking energy: -344.488 Base-Backbone interact. energy: -1.657 local terms energy: -472.071964 where: bonds (distance) C4'-P energy: -121.587 bonds (distance) P-C4' energy: -114.216 flat angles C4'-P-C4' energy: -117.716 flat angles P-C4'-P energy: -72.035 tors. eta vs tors. theta energy: -46.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -870.950360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.950360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.950360 (E_RNA) where: Base-Base interactions energy: -460.540 where: short stacking energy: -252.308 Base-Backbone interact. energy: -2.308 local terms energy: -408.102384 where: bonds (distance) C4'-P energy: -132.414 bonds (distance) P-C4' energy: -120.081 flat angles C4'-P-C4' energy: -99.874 flat angles P-C4'-P energy: -57.006 tors. eta vs tors. theta energy: 1.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -583.815925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.815925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.815925 (E_RNA) where: Base-Base interactions energy: -228.877 where: short stacking energy: -164.226 Base-Backbone interact. energy: 1.619 local terms energy: -356.558100 where: bonds (distance) C4'-P energy: -108.039 bonds (distance) P-C4' energy: -130.706 flat angles C4'-P-C4' energy: -107.112 flat angles P-C4'-P energy: -43.841 tors. eta vs tors. theta energy: 33.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2596.983046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.983046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.983046 (E_RNA) where: Base-Base interactions energy: -1794.868 where: short stacking energy: -771.225 Base-Backbone interact. energy: -1.543 local terms energy: -800.571857 where: bonds (distance) C4'-P energy: -150.582 bonds (distance) P-C4' energy: -150.340 flat angles C4'-P-C4' energy: -163.127 flat angles P-C4'-P energy: -106.082 tors. eta vs tors. theta energy: -230.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2472.899239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.899239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.899239 (E_RNA) where: Base-Base interactions energy: -1690.923 where: short stacking energy: -753.699 Base-Backbone interact. energy: 0.151 local terms energy: -782.127069 where: bonds (distance) C4'-P energy: -152.286 bonds (distance) P-C4' energy: -132.200 flat angles C4'-P-C4' energy: -153.894 flat angles P-C4'-P energy: -121.684 tors. eta vs tors. theta energy: -222.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2299.340173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.340173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.340173 (E_RNA) where: Base-Base interactions energy: -1606.291 where: short stacking energy: -647.881 Base-Backbone interact. energy: 7.493 local terms energy: -700.824427 where: bonds (distance) C4'-P energy: -135.352 bonds (distance) P-C4' energy: -149.353 flat angles C4'-P-C4' energy: -160.222 flat angles P-C4'-P energy: -91.798 tors. eta vs tors. theta energy: -164.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.282 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2099.880793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.880793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.880793 (E_RNA) where: Base-Base interactions energy: -1401.351 where: short stacking energy: -609.298 Base-Backbone interact. energy: -3.896 local terms energy: -694.633964 where: bonds (distance) C4'-P energy: -138.422 bonds (distance) P-C4' energy: -157.514 flat angles C4'-P-C4' energy: -153.291 flat angles P-C4'-P energy: -93.889 tors. eta vs tors. theta energy: -151.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2007.277409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.277409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.277409 (E_RNA) where: Base-Base interactions energy: -1359.624 where: short stacking energy: -565.032 Base-Backbone interact. energy: -1.114 local terms energy: -646.539797 where: bonds (distance) C4'-P energy: -135.032 bonds (distance) P-C4' energy: -130.246 flat angles C4'-P-C4' energy: -148.015 flat angles P-C4'-P energy: -94.145 tors. eta vs tors. theta energy: -139.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1860.635041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.635041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.635041 (E_RNA) where: Base-Base interactions energy: -1262.018 where: short stacking energy: -518.872 Base-Backbone interact. energy: -1.878 local terms energy: -596.739080 where: bonds (distance) C4'-P energy: -124.844 bonds (distance) P-C4' energy: -138.082 flat angles C4'-P-C4' energy: -132.666 flat angles P-C4'-P energy: -84.161 tors. eta vs tors. theta energy: -116.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1569.907885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.907885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.907885 (E_RNA) where: Base-Base interactions energy: -1004.922 where: short stacking energy: -480.299 Base-Backbone interact. energy: -2.532 local terms energy: -562.453154 where: bonds (distance) C4'-P energy: -127.179 bonds (distance) P-C4' energy: -131.874 flat angles C4'-P-C4' energy: -124.160 flat angles P-C4'-P energy: -74.540 tors. eta vs tors. theta energy: -104.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1201.181909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.181909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.181909 (E_RNA) where: Base-Base interactions energy: -723.282 where: short stacking energy: -323.055 Base-Backbone interact. energy: 0.368 local terms energy: -478.268025 where: bonds (distance) C4'-P energy: -114.975 bonds (distance) P-C4' energy: -123.609 flat angles C4'-P-C4' energy: -116.469 flat angles P-C4'-P energy: -74.924 tors. eta vs tors. theta energy: -48.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -899.976027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.976027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.976027 (E_RNA) where: Base-Base interactions energy: -486.722 where: short stacking energy: -262.670 Base-Backbone interact. energy: 7.261 local terms energy: -420.515465 where: bonds (distance) C4'-P energy: -119.048 bonds (distance) P-C4' energy: -123.379 flat angles C4'-P-C4' energy: -98.243 flat angles P-C4'-P energy: -68.200 tors. eta vs tors. theta energy: -11.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -591.445304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.445304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.445304 (E_RNA) where: Base-Base interactions energy: -207.245 where: short stacking energy: -157.834 Base-Backbone interact. energy: 5.662 local terms energy: -389.863103 where: bonds (distance) C4'-P energy: -122.280 bonds (distance) P-C4' energy: -129.555 flat angles C4'-P-C4' energy: -115.770 flat angles P-C4'-P energy: -52.705 tors. eta vs tors. theta energy: 30.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2606.815923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.815923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.815923 (E_RNA) where: Base-Base interactions energy: -1802.822 where: short stacking energy: -771.611 Base-Backbone interact. energy: -1.382 local terms energy: -802.611223 where: bonds (distance) C4'-P energy: -159.769 bonds (distance) P-C4' energy: -157.714 flat angles C4'-P-C4' energy: -143.582 flat angles P-C4'-P energy: -112.562 tors. eta vs tors. theta energy: -228.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2462.824792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.824792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.824792 (E_RNA) where: Base-Base interactions energy: -1656.748 where: short stacking energy: -726.019 Base-Backbone interact. energy: -3.001 local terms energy: -803.075978 where: bonds (distance) C4'-P energy: -152.848 bonds (distance) P-C4' energy: -149.910 flat angles C4'-P-C4' energy: -176.410 flat angles P-C4'-P energy: -104.512 tors. eta vs tors. theta energy: -219.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2354.899302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.899302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.899302 (E_RNA) where: Base-Base interactions energy: -1608.972 where: short stacking energy: -678.404 Base-Backbone interact. energy: -1.871 local terms energy: -744.055933 where: bonds (distance) C4'-P energy: -145.933 bonds (distance) P-C4' energy: -149.458 flat angles C4'-P-C4' energy: -161.857 flat angles P-C4'-P energy: -101.846 tors. eta vs tors. theta energy: -184.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2055.358382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.358382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.358382 (E_RNA) where: Base-Base interactions energy: -1383.064 where: short stacking energy: -627.890 Base-Backbone interact. energy: -0.396 local terms energy: -671.897804 where: bonds (distance) C4'-P energy: -117.817 bonds (distance) P-C4' energy: -146.777 flat angles C4'-P-C4' energy: -140.859 flat angles P-C4'-P energy: -100.013 tors. eta vs tors. theta energy: -166.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1989.180658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.180658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.180658 (E_RNA) where: Base-Base interactions energy: -1327.265 where: short stacking energy: -579.703 Base-Backbone interact. energy: -1.640 local terms energy: -660.275754 where: bonds (distance) C4'-P energy: -130.690 bonds (distance) P-C4' energy: -141.968 flat angles C4'-P-C4' energy: -155.578 flat angles P-C4'-P energy: -94.624 tors. eta vs tors. theta energy: -137.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1865.789807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.789807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.789807 (E_RNA) where: Base-Base interactions energy: -1229.903 where: short stacking energy: -519.239 Base-Backbone interact. energy: 0.251 local terms energy: -636.138352 where: bonds (distance) C4'-P energy: -115.883 bonds (distance) P-C4' energy: -145.592 flat angles C4'-P-C4' energy: -148.347 flat angles P-C4'-P energy: -80.078 tors. eta vs tors. theta energy: -146.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1565.696595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.696595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.696595 (E_RNA) where: Base-Base interactions energy: -1006.322 where: short stacking energy: -440.556 Base-Backbone interact. energy: -2.339 local terms energy: -557.035976 where: bonds (distance) C4'-P energy: -112.102 bonds (distance) P-C4' energy: -138.876 flat angles C4'-P-C4' energy: -121.586 flat angles P-C4'-P energy: -91.620 tors. eta vs tors. theta energy: -92.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1222.677655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.677655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.677655 (E_RNA) where: Base-Base interactions energy: -712.564 where: short stacking energy: -362.749 Base-Backbone interact. energy: 8.477 local terms energy: -518.590994 where: bonds (distance) C4'-P energy: -107.456 bonds (distance) P-C4' energy: -148.900 flat angles C4'-P-C4' energy: -125.891 flat angles P-C4'-P energy: -68.905 tors. eta vs tors. theta energy: -67.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -940.871860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.871860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.871860 (E_RNA) where: Base-Base interactions energy: -499.881 where: short stacking energy: -264.554 Base-Backbone interact. energy: -2.682 local terms energy: -438.308872 where: bonds (distance) C4'-P energy: -125.119 bonds (distance) P-C4' energy: -124.235 flat angles C4'-P-C4' energy: -116.362 flat angles P-C4'-P energy: -59.421 tors. eta vs tors. theta energy: -13.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -670.081999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.081999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.081999 (E_RNA) where: Base-Base interactions energy: -270.027 where: short stacking energy: -179.649 Base-Backbone interact. energy: 0.612 local terms energy: -400.666386 where: bonds (distance) C4'-P energy: -111.945 bonds (distance) P-C4' energy: -131.234 flat angles C4'-P-C4' energy: -97.631 flat angles P-C4'-P energy: -64.369 tors. eta vs tors. theta energy: 4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2542.731135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.731135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.731135 (E_RNA) where: Base-Base interactions energy: -1765.986 where: short stacking energy: -773.436 Base-Backbone interact. energy: -3.086 local terms energy: -773.659525 where: bonds (distance) C4'-P energy: -131.296 bonds (distance) P-C4' energy: -142.269 flat angles C4'-P-C4' energy: -171.179 flat angles P-C4'-P energy: -103.212 tors. eta vs tors. theta energy: -225.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2440.777297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.777297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.777297 (E_RNA) where: Base-Base interactions energy: -1668.993 where: short stacking energy: -777.709 Base-Backbone interact. energy: -3.900 local terms energy: -767.884490 where: bonds (distance) C4'-P energy: -139.053 bonds (distance) P-C4' energy: -137.366 flat angles C4'-P-C4' energy: -166.771 flat angles P-C4'-P energy: -110.673 tors. eta vs tors. theta energy: -214.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2292.871172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.871172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.871172 (E_RNA) where: Base-Base interactions energy: -1569.447 where: short stacking energy: -669.876 Base-Backbone interact. energy: 1.203 local terms energy: -724.626487 where: bonds (distance) C4'-P energy: -134.048 bonds (distance) P-C4' energy: -146.402 flat angles C4'-P-C4' energy: -166.838 flat angles P-C4'-P energy: -106.265 tors. eta vs tors. theta energy: -171.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2056.551527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.551527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.551527 (E_RNA) where: Base-Base interactions energy: -1409.387 where: short stacking energy: -612.351 Base-Backbone interact. energy: 5.290 local terms energy: -652.454631 where: bonds (distance) C4'-P energy: -131.875 bonds (distance) P-C4' energy: -131.581 flat angles C4'-P-C4' energy: -153.360 flat angles P-C4'-P energy: -78.417 tors. eta vs tors. theta energy: -157.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1956.150576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.150576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.150576 (E_RNA) where: Base-Base interactions energy: -1274.349 where: short stacking energy: -530.679 Base-Backbone interact. energy: -4.357 local terms energy: -677.444675 where: bonds (distance) C4'-P energy: -128.504 bonds (distance) P-C4' energy: -147.701 flat angles C4'-P-C4' energy: -155.241 flat angles P-C4'-P energy: -100.404 tors. eta vs tors. theta energy: -145.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1824.499666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.499666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.499666 (E_RNA) where: Base-Base interactions energy: -1236.378 where: short stacking energy: -572.121 Base-Backbone interact. energy: 1.004 local terms energy: -589.125567 where: bonds (distance) C4'-P energy: -125.931 bonds (distance) P-C4' energy: -113.943 flat angles C4'-P-C4' energy: -125.522 flat angles P-C4'-P energy: -85.386 tors. eta vs tors. theta energy: -138.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1517.139853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.139853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.139853 (E_RNA) where: Base-Base interactions energy: -988.607 where: short stacking energy: -465.127 Base-Backbone interact. energy: 0.042 local terms energy: -528.575156 where: bonds (distance) C4'-P energy: -116.237 bonds (distance) P-C4' energy: -117.530 flat angles C4'-P-C4' energy: -100.767 flat angles P-C4'-P energy: -81.651 tors. eta vs tors. theta energy: -112.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1220.690717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.690717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.690717 (E_RNA) where: Base-Base interactions energy: -709.821 where: short stacking energy: -343.127 Base-Backbone interact. energy: -0.496 local terms energy: -510.373532 where: bonds (distance) C4'-P energy: -143.470 bonds (distance) P-C4' energy: -120.274 flat angles C4'-P-C4' energy: -123.172 flat angles P-C4'-P energy: -65.576 tors. eta vs tors. theta energy: -57.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -906.402237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.402237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.402237 (E_RNA) where: Base-Base interactions energy: -470.309 where: short stacking energy: -260.851 Base-Backbone interact. energy: -0.386 local terms energy: -435.707008 where: bonds (distance) C4'-P energy: -122.373 bonds (distance) P-C4' energy: -139.904 flat angles C4'-P-C4' energy: -99.971 flat angles P-C4'-P energy: -63.542 tors. eta vs tors. theta energy: -9.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -665.671604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.671604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.671604 (E_RNA) where: Base-Base interactions energy: -284.544 where: short stacking energy: -190.682 Base-Backbone interact. energy: 1.284 local terms energy: -382.412173 where: bonds (distance) C4'-P energy: -119.120 bonds (distance) P-C4' energy: -142.662 flat angles C4'-P-C4' energy: -90.804 flat angles P-C4'-P energy: -53.939 tors. eta vs tors. theta energy: 24.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2567.921042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.921042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.921042 (E_RNA) where: Base-Base interactions energy: -1779.225 where: short stacking energy: -774.119 Base-Backbone interact. energy: 6.584 local terms energy: -795.280361 where: bonds (distance) C4'-P energy: -133.819 bonds (distance) P-C4' energy: -142.934 flat angles C4'-P-C4' energy: -179.941 flat angles P-C4'-P energy: -114.220 tors. eta vs tors. theta energy: -224.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2427.858357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.858357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.858357 (E_RNA) where: Base-Base interactions energy: -1640.434 where: short stacking energy: -714.875 Base-Backbone interact. energy: -1.451 local terms energy: -785.972851 where: bonds (distance) C4'-P energy: -145.271 bonds (distance) P-C4' energy: -160.451 flat angles C4'-P-C4' energy: -169.365 flat angles P-C4'-P energy: -97.571 tors. eta vs tors. theta energy: -213.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2278.198902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.198902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.198902 (E_RNA) where: Base-Base interactions energy: -1548.388 where: short stacking energy: -639.715 Base-Backbone interact. energy: -0.730 local terms energy: -729.080918 where: bonds (distance) C4'-P energy: -142.238 bonds (distance) P-C4' energy: -156.234 flat angles C4'-P-C4' energy: -157.784 flat angles P-C4'-P energy: -106.790 tors. eta vs tors. theta energy: -166.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2175.919098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.919098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.919098 (E_RNA) where: Base-Base interactions energy: -1469.067 where: short stacking energy: -623.808 Base-Backbone interact. energy: 1.239 local terms energy: -708.090900 where: bonds (distance) C4'-P energy: -135.130 bonds (distance) P-C4' energy: -150.548 flat angles C4'-P-C4' energy: -158.550 flat angles P-C4'-P energy: -97.352 tors. eta vs tors. theta energy: -166.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1972.269551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.269551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.269551 (E_RNA) where: Base-Base interactions energy: -1308.655 where: short stacking energy: -556.427 Base-Backbone interact. energy: -3.141 local terms energy: -660.472673 where: bonds (distance) C4'-P energy: -139.770 bonds (distance) P-C4' energy: -143.077 flat angles C4'-P-C4' energy: -149.751 flat angles P-C4'-P energy: -82.764 tors. eta vs tors. theta energy: -145.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1746.779412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.779412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.779412 (E_RNA) where: Base-Base interactions energy: -1172.196 where: short stacking energy: -480.034 Base-Backbone interact. energy: -3.488 local terms energy: -571.094688 where: bonds (distance) C4'-P energy: -106.547 bonds (distance) P-C4' energy: -129.563 flat angles C4'-P-C4' energy: -127.179 flat angles P-C4'-P energy: -100.184 tors. eta vs tors. theta energy: -107.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1530.116522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.116522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.116522 (E_RNA) where: Base-Base interactions energy: -978.270 where: short stacking energy: -419.888 Base-Backbone interact. energy: -0.817 local terms energy: -551.029668 where: bonds (distance) C4'-P energy: -127.074 bonds (distance) P-C4' energy: -139.508 flat angles C4'-P-C4' energy: -119.508 flat angles P-C4'-P energy: -82.324 tors. eta vs tors. theta energy: -82.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1228.497771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.497771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.497771 (E_RNA) where: Base-Base interactions energy: -732.413 where: short stacking energy: -339.260 Base-Backbone interact. energy: -0.056 local terms energy: -498.032914 where: bonds (distance) C4'-P energy: -124.417 bonds (distance) P-C4' energy: -144.242 flat angles C4'-P-C4' energy: -113.976 flat angles P-C4'-P energy: -52.841 tors. eta vs tors. theta energy: -62.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.004 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -906.450804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.450804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.450804 (E_RNA) where: Base-Base interactions energy: -432.285 where: short stacking energy: -258.280 Base-Backbone interact. energy: 0.265 local terms energy: -474.430984 where: bonds (distance) C4'-P energy: -110.213 bonds (distance) P-C4' energy: -133.368 flat angles C4'-P-C4' energy: -126.566 flat angles P-C4'-P energy: -86.754 tors. eta vs tors. theta energy: -17.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -667.237195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.237195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.237195 (E_RNA) where: Base-Base interactions energy: -301.326 where: short stacking energy: -193.271 Base-Backbone interact. energy: 2.393 local terms energy: -368.304152 where: bonds (distance) C4'-P energy: -128.654 bonds (distance) P-C4' energy: -112.752 flat angles C4'-P-C4' energy: -95.815 flat angles P-C4'-P energy: -49.649 tors. eta vs tors. theta energy: 18.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2558.322974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.322974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.322974 (E_RNA) where: Base-Base interactions energy: -1753.299 where: short stacking energy: -758.918 Base-Backbone interact. energy: -3.198 local terms energy: -801.825692 where: bonds (distance) C4'-P energy: -154.013 bonds (distance) P-C4' energy: -147.180 flat angles C4'-P-C4' energy: -164.638 flat angles P-C4'-P energy: -115.531 tors. eta vs tors. theta energy: -220.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2404.221650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.221650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.221650 (E_RNA) where: Base-Base interactions energy: -1624.052 where: short stacking energy: -703.335 Base-Backbone interact. energy: 0.782 local terms energy: -780.952271 where: bonds (distance) C4'-P energy: -142.411 bonds (distance) P-C4' energy: -151.670 flat angles C4'-P-C4' energy: -166.969 flat angles P-C4'-P energy: -102.326 tors. eta vs tors. theta energy: -217.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2296.326945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.326945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.326945 (E_RNA) where: Base-Base interactions energy: -1580.531 where: short stacking energy: -668.617 Base-Backbone interact. energy: -1.346 local terms energy: -714.450720 where: bonds (distance) C4'-P energy: -137.090 bonds (distance) P-C4' energy: -147.863 flat angles C4'-P-C4' energy: -161.211 flat angles P-C4'-P energy: -92.021 tors. eta vs tors. theta energy: -176.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2149.205107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.205107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.205107 (E_RNA) where: Base-Base interactions energy: -1456.035 where: short stacking energy: -645.368 Base-Backbone interact. energy: 1.457 local terms energy: -694.627325 where: bonds (distance) C4'-P energy: -136.372 bonds (distance) P-C4' energy: -125.071 flat angles C4'-P-C4' energy: -152.027 flat angles P-C4'-P energy: -105.633 tors. eta vs tors. theta energy: -175.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1941.902633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.902633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.902633 (E_RNA) where: Base-Base interactions energy: -1311.874 where: short stacking energy: -560.588 Base-Backbone interact. energy: -1.239 local terms energy: -628.789842 where: bonds (distance) C4'-P energy: -116.778 bonds (distance) P-C4' energy: -134.624 flat angles C4'-P-C4' energy: -157.852 flat angles P-C4'-P energy: -82.609 tors. eta vs tors. theta energy: -136.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1754.839701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.839701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.839701 (E_RNA) where: Base-Base interactions energy: -1156.855 where: short stacking energy: -499.214 Base-Backbone interact. energy: -1.437 local terms energy: -596.547135 where: bonds (distance) C4'-P energy: -128.418 bonds (distance) P-C4' energy: -127.603 flat angles C4'-P-C4' energy: -140.719 flat angles P-C4'-P energy: -74.441 tors. eta vs tors. theta energy: -125.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1507.643653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.643653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.643653 (E_RNA) where: Base-Base interactions energy: -971.658 where: short stacking energy: -436.021 Base-Backbone interact. energy: -0.069 local terms energy: -535.916120 where: bonds (distance) C4'-P energy: -106.813 bonds (distance) P-C4' energy: -127.568 flat angles C4'-P-C4' energy: -141.192 flat angles P-C4'-P energy: -75.790 tors. eta vs tors. theta energy: -84.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1232.958365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.958365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.958365 (E_RNA) where: Base-Base interactions energy: -729.120 where: short stacking energy: -341.050 Base-Backbone interact. energy: -1.413 local terms energy: -503.987269 where: bonds (distance) C4'-P energy: -108.337 bonds (distance) P-C4' energy: -127.729 flat angles C4'-P-C4' energy: -133.598 flat angles P-C4'-P energy: -91.242 tors. eta vs tors. theta energy: -43.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.562 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -845.050132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.050132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.050132 (E_RNA) where: Base-Base interactions energy: -452.873 where: short stacking energy: -250.748 Base-Backbone interact. energy: 1.990 local terms energy: -394.166963 where: bonds (distance) C4'-P energy: -113.085 bonds (distance) P-C4' energy: -108.498 flat angles C4'-P-C4' energy: -97.425 flat angles P-C4'-P energy: -75.894 tors. eta vs tors. theta energy: 0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -685.375168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.375168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.375168 (E_RNA) where: Base-Base interactions energy: -290.624 where: short stacking energy: -178.551 Base-Backbone interact. energy: 6.228 local terms energy: -400.979118 where: bonds (distance) C4'-P energy: -121.631 bonds (distance) P-C4' energy: -135.971 flat angles C4'-P-C4' energy: -84.692 flat angles P-C4'-P energy: -66.223 tors. eta vs tors. theta energy: 7.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2567.222253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.222253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.222253 (E_RNA) where: Base-Base interactions energy: -1768.309 where: short stacking energy: -760.325 Base-Backbone interact. energy: -2.672 local terms energy: -796.241819 where: bonds (distance) C4'-P energy: -144.761 bonds (distance) P-C4' energy: -145.323 flat angles C4'-P-C4' energy: -168.444 flat angles P-C4'-P energy: -112.634 tors. eta vs tors. theta energy: -225.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2420.894593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.894593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.894593 (E_RNA) where: Base-Base interactions energy: -1632.306 where: short stacking energy: -713.958 Base-Backbone interact. energy: -0.510 local terms energy: -788.078437 where: bonds (distance) C4'-P energy: -132.882 bonds (distance) P-C4' energy: -153.669 flat angles C4'-P-C4' energy: -173.919 flat angles P-C4'-P energy: -116.848 tors. eta vs tors. theta energy: -210.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2293.885835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.885835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.885835 (E_RNA) where: Base-Base interactions energy: -1555.823 where: short stacking energy: -663.222 Base-Backbone interact. energy: -3.314 local terms energy: -734.748989 where: bonds (distance) C4'-P energy: -143.300 bonds (distance) P-C4' energy: -151.605 flat angles C4'-P-C4' energy: -157.942 flat angles P-C4'-P energy: -98.414 tors. eta vs tors. theta energy: -183.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2106.000263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.000263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.000263 (E_RNA) where: Base-Base interactions energy: -1424.454 where: short stacking energy: -627.570 Base-Backbone interact. energy: -3.088 local terms energy: -678.458565 where: bonds (distance) C4'-P energy: -126.913 bonds (distance) P-C4' energy: -146.597 flat angles C4'-P-C4' energy: -138.767 flat angles P-C4'-P energy: -98.530 tors. eta vs tors. theta energy: -167.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1881.882916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.882916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.882916 (E_RNA) where: Base-Base interactions energy: -1285.266 where: short stacking energy: -527.956 Base-Backbone interact. energy: -4.410 local terms energy: -592.206641 where: bonds (distance) C4'-P energy: -135.436 bonds (distance) P-C4' energy: -126.103 flat angles C4'-P-C4' energy: -136.666 flat angles P-C4'-P energy: -80.508 tors. eta vs tors. theta energy: -113.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1844.188244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.188244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.188244 (E_RNA) where: Base-Base interactions energy: -1194.014 where: short stacking energy: -565.495 Base-Backbone interact. energy: 0.204 local terms energy: -650.378863 where: bonds (distance) C4'-P energy: -136.939 bonds (distance) P-C4' energy: -146.014 flat angles C4'-P-C4' energy: -130.409 flat angles P-C4'-P energy: -87.053 tors. eta vs tors. theta energy: -149.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1479.396013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.396013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.396013 (E_RNA) where: Base-Base interactions energy: -930.227 where: short stacking energy: -442.651 Base-Backbone interact. energy: -3.418 local terms energy: -545.751291 where: bonds (distance) C4'-P energy: -89.838 bonds (distance) P-C4' energy: -137.422 flat angles C4'-P-C4' energy: -142.499 flat angles P-C4'-P energy: -80.828 tors. eta vs tors. theta energy: -95.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1234.260101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.260101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.260101 (E_RNA) where: Base-Base interactions energy: -747.623 where: short stacking energy: -368.539 Base-Backbone interact. energy: 1.060 local terms energy: -488.160516 where: bonds (distance) C4'-P energy: -111.542 bonds (distance) P-C4' energy: -139.098 flat angles C4'-P-C4' energy: -110.808 flat angles P-C4'-P energy: -65.468 tors. eta vs tors. theta energy: -61.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.464 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -901.873656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.873656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.873656 (E_RNA) where: Base-Base interactions energy: -449.239 where: short stacking energy: -270.410 Base-Backbone interact. energy: 7.885 local terms energy: -460.519486 where: bonds (distance) C4'-P energy: -118.660 bonds (distance) P-C4' energy: -141.732 flat angles C4'-P-C4' energy: -116.053 flat angles P-C4'-P energy: -57.642 tors. eta vs tors. theta energy: -26.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -722.512290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.512290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.512290 (E_RNA) where: Base-Base interactions energy: -327.851 where: short stacking energy: -200.916 Base-Backbone interact. energy: 5.457 local terms energy: -400.117832 where: bonds (distance) C4'-P energy: -101.070 bonds (distance) P-C4' energy: -118.415 flat angles C4'-P-C4' energy: -122.877 flat angles P-C4'-P energy: -57.555 tors. eta vs tors. theta energy: -0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2575.594046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.594046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.594046 (E_RNA) where: Base-Base interactions energy: -1759.493 where: short stacking energy: -732.075 Base-Backbone interact. energy: -2.849 local terms energy: -813.251654 where: bonds (distance) C4'-P energy: -154.845 bonds (distance) P-C4' energy: -156.212 flat angles C4'-P-C4' energy: -167.492 flat angles P-C4'-P energy: -116.537 tors. eta vs tors. theta energy: -218.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2460.043228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.043228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.043228 (E_RNA) where: Base-Base interactions energy: -1670.766 where: short stacking energy: -717.727 Base-Backbone interact. energy: -1.013 local terms energy: -788.264398 where: bonds (distance) C4'-P energy: -145.517 bonds (distance) P-C4' energy: -153.492 flat angles C4'-P-C4' energy: -165.859 flat angles P-C4'-P energy: -110.417 tors. eta vs tors. theta energy: -212.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2306.411980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.411980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.411980 (E_RNA) where: Base-Base interactions energy: -1582.266 where: short stacking energy: -644.438 Base-Backbone interact. energy: -2.151 local terms energy: -721.994612 where: bonds (distance) C4'-P energy: -147.762 bonds (distance) P-C4' energy: -140.767 flat angles C4'-P-C4' energy: -164.170 flat angles P-C4'-P energy: -108.356 tors. eta vs tors. theta energy: -160.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2082.565196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.565196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.565196 (E_RNA) where: Base-Base interactions energy: -1389.163 where: short stacking energy: -623.527 Base-Backbone interact. energy: -1.134 local terms energy: -692.268108 where: bonds (distance) C4'-P energy: -137.898 bonds (distance) P-C4' energy: -148.624 flat angles C4'-P-C4' energy: -144.524 flat angles P-C4'-P energy: -88.992 tors. eta vs tors. theta energy: -172.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1902.392106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.392106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.392106 (E_RNA) where: Base-Base interactions energy: -1285.164 where: short stacking energy: -585.553 Base-Backbone interact. energy: 1.351 local terms energy: -618.578942 where: bonds (distance) C4'-P energy: -112.551 bonds (distance) P-C4' energy: -132.496 flat angles C4'-P-C4' energy: -139.364 flat angles P-C4'-P energy: -96.709 tors. eta vs tors. theta energy: -137.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1799.323382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.323382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.323382 (E_RNA) where: Base-Base interactions energy: -1176.733 where: short stacking energy: -533.120 Base-Backbone interact. energy: 1.570 local terms energy: -624.159844 where: bonds (distance) C4'-P energy: -105.255 bonds (distance) P-C4' energy: -147.136 flat angles C4'-P-C4' energy: -136.134 flat angles P-C4'-P energy: -98.967 tors. eta vs tors. theta energy: -136.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1463.765579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.765579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.765579 (E_RNA) where: Base-Base interactions energy: -899.253 where: short stacking energy: -416.427 Base-Backbone interact. energy: -3.483 local terms energy: -561.029975 where: bonds (distance) C4'-P energy: -112.996 bonds (distance) P-C4' energy: -133.239 flat angles C4'-P-C4' energy: -148.296 flat angles P-C4'-P energy: -71.453 tors. eta vs tors. theta energy: -95.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1286.496351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.496351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.496351 (E_RNA) where: Base-Base interactions energy: -747.854 where: short stacking energy: -370.163 Base-Backbone interact. energy: 0.831 local terms energy: -539.987806 where: bonds (distance) C4'-P energy: -137.159 bonds (distance) P-C4' energy: -141.526 flat angles C4'-P-C4' energy: -115.472 flat angles P-C4'-P energy: -76.570 tors. eta vs tors. theta energy: -69.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.514 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -823.934313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.934313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.934313 (E_RNA) where: Base-Base interactions energy: -428.102 where: short stacking energy: -239.612 Base-Backbone interact. energy: -2.078 local terms energy: -393.753909 where: bonds (distance) C4'-P energy: -121.224 bonds (distance) P-C4' energy: -120.536 flat angles C4'-P-C4' energy: -90.091 flat angles P-C4'-P energy: -56.072 tors. eta vs tors. theta energy: -5.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -735.672594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.672594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.672594 (E_RNA) where: Base-Base interactions energy: -359.906 where: short stacking energy: -179.276 Base-Backbone interact. energy: -1.093 local terms energy: -374.673388 where: bonds (distance) C4'-P energy: -111.669 bonds (distance) P-C4' energy: -117.747 flat angles C4'-P-C4' energy: -108.588 flat angles P-C4'-P energy: -64.271 tors. eta vs tors. theta energy: 27.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2498.867399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.867399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.867399 (E_RNA) where: Base-Base interactions energy: -1724.145 where: short stacking energy: -764.946 Base-Backbone interact. energy: -2.380 local terms energy: -772.342467 where: bonds (distance) C4'-P energy: -137.527 bonds (distance) P-C4' energy: -140.200 flat angles C4'-P-C4' energy: -166.577 flat angles P-C4'-P energy: -105.863 tors. eta vs tors. theta energy: -222.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2507.006243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.006243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.006243 (E_RNA) where: Base-Base interactions energy: -1749.772 where: short stacking energy: -749.310 Base-Backbone interact. energy: -0.770 local terms energy: -756.464376 where: bonds (distance) C4'-P energy: -141.338 bonds (distance) P-C4' energy: -138.977 flat angles C4'-P-C4' energy: -156.568 flat angles P-C4'-P energy: -105.341 tors. eta vs tors. theta energy: -214.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2269.985334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.985334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.985334 (E_RNA) where: Base-Base interactions energy: -1570.281 where: short stacking energy: -641.074 Base-Backbone interact. energy: 1.650 local terms energy: -701.354637 where: bonds (distance) C4'-P energy: -121.704 bonds (distance) P-C4' energy: -148.503 flat angles C4'-P-C4' energy: -163.750 flat angles P-C4'-P energy: -97.409 tors. eta vs tors. theta energy: -169.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2074.696001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.696001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.696001 (E_RNA) where: Base-Base interactions energy: -1387.405 where: short stacking energy: -607.904 Base-Backbone interact. energy: -3.641 local terms energy: -683.649420 where: bonds (distance) C4'-P energy: -132.670 bonds (distance) P-C4' energy: -136.409 flat angles C4'-P-C4' energy: -139.948 flat angles P-C4'-P energy: -107.608 tors. eta vs tors. theta energy: -167.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1947.597872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.597872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.597872 (E_RNA) where: Base-Base interactions energy: -1305.675 where: short stacking energy: -565.798 Base-Backbone interact. energy: -2.935 local terms energy: -638.987320 where: bonds (distance) C4'-P energy: -118.277 bonds (distance) P-C4' energy: -131.499 flat angles C4'-P-C4' energy: -149.746 flat angles P-C4'-P energy: -91.040 tors. eta vs tors. theta energy: -148.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1786.059595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.059595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.059595 (E_RNA) where: Base-Base interactions energy: -1146.313 where: short stacking energy: -508.323 Base-Backbone interact. energy: -2.731 local terms energy: -637.015772 where: bonds (distance) C4'-P energy: -150.187 bonds (distance) P-C4' energy: -119.930 flat angles C4'-P-C4' energy: -144.368 flat angles P-C4'-P energy: -96.329 tors. eta vs tors. theta energy: -126.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1509.550162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.550162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.550162 (E_RNA) where: Base-Base interactions energy: -952.039 where: short stacking energy: -446.181 Base-Backbone interact. energy: -3.211 local terms energy: -554.299901 where: bonds (distance) C4'-P energy: -122.858 bonds (distance) P-C4' energy: -133.357 flat angles C4'-P-C4' energy: -120.186 flat angles P-C4'-P energy: -84.520 tors. eta vs tors. theta energy: -93.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1252.559117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.559117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.559117 (E_RNA) where: Base-Base interactions energy: -747.244 where: short stacking energy: -346.320 Base-Backbone interact. energy: -2.692 local terms energy: -502.623385 where: bonds (distance) C4'-P energy: -123.397 bonds (distance) P-C4' energy: -134.791 flat angles C4'-P-C4' energy: -137.922 flat angles P-C4'-P energy: -51.290 tors. eta vs tors. theta energy: -55.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -825.282837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.282837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.282837 (E_RNA) where: Base-Base interactions energy: -411.012 where: short stacking energy: -243.905 Base-Backbone interact. energy: 6.885 local terms energy: -421.155694 where: bonds (distance) C4'-P energy: -107.723 bonds (distance) P-C4' energy: -122.438 flat angles C4'-P-C4' energy: -115.263 flat angles P-C4'-P energy: -64.176 tors. eta vs tors. theta energy: -11.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -722.192129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.192129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.192129 (E_RNA) where: Base-Base interactions energy: -307.236 where: short stacking energy: -174.962 Base-Backbone interact. energy: 3.086 local terms energy: -418.042137 where: bonds (distance) C4'-P energy: -121.690 bonds (distance) P-C4' energy: -125.742 flat angles C4'-P-C4' energy: -124.391 flat angles P-C4'-P energy: -54.798 tors. eta vs tors. theta energy: 8.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2510.407417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.407417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.407417 (E_RNA) where: Base-Base interactions energy: -1705.479 where: short stacking energy: -737.855 Base-Backbone interact. energy: -0.904 local terms energy: -804.025140 where: bonds (distance) C4'-P energy: -144.887 bonds (distance) P-C4' energy: -145.903 flat angles C4'-P-C4' energy: -177.881 flat angles P-C4'-P energy: -121.965 tors. eta vs tors. theta energy: -213.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2471.103873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.103873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.103873 (E_RNA) where: Base-Base interactions energy: -1692.955 where: short stacking energy: -720.768 Base-Backbone interact. energy: -2.645 local terms energy: -775.503878 where: bonds (distance) C4'-P energy: -142.006 bonds (distance) P-C4' energy: -159.588 flat angles C4'-P-C4' energy: -161.980 flat angles P-C4'-P energy: -110.112 tors. eta vs tors. theta energy: -201.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2275.768616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.768616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.768616 (E_RNA) where: Base-Base interactions energy: -1558.703 where: short stacking energy: -651.626 Base-Backbone interact. energy: -2.294 local terms energy: -714.771484 where: bonds (distance) C4'-P energy: -140.534 bonds (distance) P-C4' energy: -134.286 flat angles C4'-P-C4' energy: -162.592 flat angles P-C4'-P energy: -110.062 tors. eta vs tors. theta energy: -167.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2040.591703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.591703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.591703 (E_RNA) where: Base-Base interactions energy: -1333.983 where: short stacking energy: -578.178 Base-Backbone interact. energy: 0.403 local terms energy: -707.011753 where: bonds (distance) C4'-P energy: -143.590 bonds (distance) P-C4' energy: -147.462 flat angles C4'-P-C4' energy: -169.974 flat angles P-C4'-P energy: -91.980 tors. eta vs tors. theta energy: -154.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1948.794525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.794525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.794525 (E_RNA) where: Base-Base interactions energy: -1311.772 where: short stacking energy: -544.668 Base-Backbone interact. energy: -3.417 local terms energy: -633.605342 where: bonds (distance) C4'-P energy: -115.079 bonds (distance) P-C4' energy: -137.648 flat angles C4'-P-C4' energy: -140.454 flat angles P-C4'-P energy: -102.751 tors. eta vs tors. theta energy: -137.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1776.749084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.749084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.749084 (E_RNA) where: Base-Base interactions energy: -1192.147 where: short stacking energy: -506.565 Base-Backbone interact. energy: -1.273 local terms energy: -583.329201 where: bonds (distance) C4'-P energy: -116.551 bonds (distance) P-C4' energy: -119.627 flat angles C4'-P-C4' energy: -137.922 flat angles P-C4'-P energy: -83.584 tors. eta vs tors. theta energy: -125.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1533.623710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.623710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.623710 (E_RNA) where: Base-Base interactions energy: -1016.700 where: short stacking energy: -441.524 Base-Backbone interact. energy: 3.063 local terms energy: -519.986517 where: bonds (distance) C4'-P energy: -116.064 bonds (distance) P-C4' energy: -112.429 flat angles C4'-P-C4' energy: -129.784 flat angles P-C4'-P energy: -73.486 tors. eta vs tors. theta energy: -88.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1228.805036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.805036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.805036 (E_RNA) where: Base-Base interactions energy: -739.026 where: short stacking energy: -350.888 Base-Backbone interact. energy: 4.446 local terms energy: -494.224482 where: bonds (distance) C4'-P energy: -118.642 bonds (distance) P-C4' energy: -127.548 flat angles C4'-P-C4' energy: -118.549 flat angles P-C4'-P energy: -87.703 tors. eta vs tors. theta energy: -41.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -882.119209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.119209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.119209 (E_RNA) where: Base-Base interactions energy: -442.928 where: short stacking energy: -268.826 Base-Backbone interact. energy: -0.038 local terms energy: -439.153103 where: bonds (distance) C4'-P energy: -116.415 bonds (distance) P-C4' energy: -133.288 flat angles C4'-P-C4' energy: -112.475 flat angles P-C4'-P energy: -62.086 tors. eta vs tors. theta energy: -14.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -715.058063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.058063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.058063 (E_RNA) where: Base-Base interactions energy: -316.310 where: short stacking energy: -208.571 Base-Backbone interact. energy: -2.838 local terms energy: -395.909671 where: bonds (distance) C4'-P energy: -104.171 bonds (distance) P-C4' energy: -131.680 flat angles C4'-P-C4' energy: -108.753 flat angles P-C4'-P energy: -53.522 tors. eta vs tors. theta energy: 2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2541.812653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.812653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.812653 (E_RNA) where: Base-Base interactions energy: -1753.989 where: short stacking energy: -728.627 Base-Backbone interact. energy: -4.168 local terms energy: -783.655207 where: bonds (distance) C4'-P energy: -141.572 bonds (distance) P-C4' energy: -155.915 flat angles C4'-P-C4' energy: -170.207 flat angles P-C4'-P energy: -95.946 tors. eta vs tors. theta energy: -220.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2440.311297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.311297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.311297 (E_RNA) where: Base-Base interactions energy: -1664.800 where: short stacking energy: -735.611 Base-Backbone interact. energy: -5.080 local terms energy: -770.431441 where: bonds (distance) C4'-P energy: -143.188 bonds (distance) P-C4' energy: -139.025 flat angles C4'-P-C4' energy: -168.293 flat angles P-C4'-P energy: -99.490 tors. eta vs tors. theta energy: -220.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2294.738601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.738601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.738601 (E_RNA) where: Base-Base interactions energy: -1551.881 where: short stacking energy: -665.396 Base-Backbone interact. energy: 1.110 local terms energy: -743.966929 where: bonds (distance) C4'-P energy: -142.356 bonds (distance) P-C4' energy: -127.072 flat angles C4'-P-C4' energy: -181.878 flat angles P-C4'-P energy: -113.938 tors. eta vs tors. theta energy: -178.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2086.398138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.398138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.398138 (E_RNA) where: Base-Base interactions energy: -1409.045 where: short stacking energy: -605.465 Base-Backbone interact. energy: 0.902 local terms energy: -678.254992 where: bonds (distance) C4'-P energy: -127.873 bonds (distance) P-C4' energy: -143.160 flat angles C4'-P-C4' energy: -140.664 flat angles P-C4'-P energy: -97.756 tors. eta vs tors. theta energy: -168.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1920.162765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.162765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.162765 (E_RNA) where: Base-Base interactions energy: -1297.514 where: short stacking energy: -577.049 Base-Backbone interact. energy: -0.146 local terms energy: -622.503695 where: bonds (distance) C4'-P energy: -117.936 bonds (distance) P-C4' energy: -129.089 flat angles C4'-P-C4' energy: -158.365 flat angles P-C4'-P energy: -72.872 tors. eta vs tors. theta energy: -144.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1813.149421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.149421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.149421 (E_RNA) where: Base-Base interactions energy: -1157.362 where: short stacking energy: -503.084 Base-Backbone interact. energy: 0.010 local terms energy: -655.797694 where: bonds (distance) C4'-P energy: -122.101 bonds (distance) P-C4' energy: -145.052 flat angles C4'-P-C4' energy: -156.638 flat angles P-C4'-P energy: -88.323 tors. eta vs tors. theta energy: -143.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1561.722590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.722590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.722590 (E_RNA) where: Base-Base interactions energy: -989.225 where: short stacking energy: -422.805 Base-Backbone interact. energy: -3.517 local terms energy: -568.980555 where: bonds (distance) C4'-P energy: -120.293 bonds (distance) P-C4' energy: -124.167 flat angles C4'-P-C4' energy: -147.492 flat angles P-C4'-P energy: -85.985 tors. eta vs tors. theta energy: -91.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1227.838282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.838282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.838282 (E_RNA) where: Base-Base interactions energy: -781.498 where: short stacking energy: -364.483 Base-Backbone interact. energy: 1.177 local terms energy: -447.517418 where: bonds (distance) C4'-P energy: -104.944 bonds (distance) P-C4' energy: -106.680 flat angles C4'-P-C4' energy: -116.234 flat angles P-C4'-P energy: -69.261 tors. eta vs tors. theta energy: -50.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -852.227104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.227104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.227104 (E_RNA) where: Base-Base interactions energy: -436.774 where: short stacking energy: -249.960 Base-Backbone interact. energy: -2.276 local terms energy: -413.176463 where: bonds (distance) C4'-P energy: -103.811 bonds (distance) P-C4' energy: -126.264 flat angles C4'-P-C4' energy: -131.306 flat angles P-C4'-P energy: -67.599 tors. eta vs tors. theta energy: 15.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -724.171412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.171412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.171412 (E_RNA) where: Base-Base interactions energy: -327.993 where: short stacking energy: -192.464 Base-Backbone interact. energy: 1.615 local terms energy: -397.794026 where: bonds (distance) C4'-P energy: -133.543 bonds (distance) P-C4' energy: -127.363 flat angles C4'-P-C4' energy: -79.979 flat angles P-C4'-P energy: -53.565 tors. eta vs tors. theta energy: -3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2558.830800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.830800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.830800 (E_RNA) where: Base-Base interactions energy: -1755.673 where: short stacking energy: -752.795 Base-Backbone interact. energy: 3.123 local terms energy: -806.280958 where: bonds (distance) C4'-P energy: -152.683 bonds (distance) P-C4' energy: -136.884 flat angles C4'-P-C4' energy: -175.382 flat angles P-C4'-P energy: -112.579 tors. eta vs tors. theta energy: -228.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2467.718874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.718874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.718874 (E_RNA) where: Base-Base interactions energy: -1689.305 where: short stacking energy: -728.126 Base-Backbone interact. energy: -3.632 local terms energy: -774.781630 where: bonds (distance) C4'-P energy: -137.682 bonds (distance) P-C4' energy: -152.039 flat angles C4'-P-C4' energy: -158.615 flat angles P-C4'-P energy: -109.257 tors. eta vs tors. theta energy: -217.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2234.472379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.472379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.472379 (E_RNA) where: Base-Base interactions energy: -1525.630 where: short stacking energy: -628.621 Base-Backbone interact. energy: 6.367 local terms energy: -715.209537 where: bonds (distance) C4'-P energy: -139.156 bonds (distance) P-C4' energy: -158.655 flat angles C4'-P-C4' energy: -158.565 flat angles P-C4'-P energy: -99.120 tors. eta vs tors. theta energy: -159.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2064.393897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.393897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.393897 (E_RNA) where: Base-Base interactions energy: -1379.525 where: short stacking energy: -592.678 Base-Backbone interact. energy: -2.595 local terms energy: -682.274184 where: bonds (distance) C4'-P energy: -112.833 bonds (distance) P-C4' energy: -152.255 flat angles C4'-P-C4' energy: -161.250 flat angles P-C4'-P energy: -94.854 tors. eta vs tors. theta energy: -161.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1914.258767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.258767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.258767 (E_RNA) where: Base-Base interactions energy: -1283.145 where: short stacking energy: -550.713 Base-Backbone interact. energy: -2.843 local terms energy: -628.270786 where: bonds (distance) C4'-P energy: -135.280 bonds (distance) P-C4' energy: -147.978 flat angles C4'-P-C4' energy: -136.205 flat angles P-C4'-P energy: -80.777 tors. eta vs tors. theta energy: -128.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1833.364714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.364714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.364714 (E_RNA) where: Base-Base interactions energy: -1188.359 where: short stacking energy: -534.879 Base-Backbone interact. energy: -1.954 local terms energy: -643.052275 where: bonds (distance) C4'-P energy: -132.275 bonds (distance) P-C4' energy: -143.381 flat angles C4'-P-C4' energy: -150.574 flat angles P-C4'-P energy: -76.440 tors. eta vs tors. theta energy: -140.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1636.657167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.657167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.657167 (E_RNA) where: Base-Base interactions energy: -1046.064 where: short stacking energy: -472.923 Base-Backbone interact. energy: -3.450 local terms energy: -587.143670 where: bonds (distance) C4'-P energy: -123.194 bonds (distance) P-C4' energy: -134.108 flat angles C4'-P-C4' energy: -132.666 flat angles P-C4'-P energy: -88.626 tors. eta vs tors. theta energy: -108.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1199.776664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.776664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.776664 (E_RNA) where: Base-Base interactions energy: -696.086 where: short stacking energy: -315.256 Base-Backbone interact. energy: -2.166 local terms energy: -501.524547 where: bonds (distance) C4'-P energy: -115.688 bonds (distance) P-C4' energy: -129.679 flat angles C4'-P-C4' energy: -136.558 flat angles P-C4'-P energy: -83.786 tors. eta vs tors. theta energy: -35.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -850.500035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.500035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.500035 (E_RNA) where: Base-Base interactions energy: -425.919 where: short stacking energy: -247.469 Base-Backbone interact. energy: 2.270 local terms energy: -426.851126 where: bonds (distance) C4'-P energy: -132.916 bonds (distance) P-C4' energy: -117.895 flat angles C4'-P-C4' energy: -109.588 flat angles P-C4'-P energy: -58.065 tors. eta vs tors. theta energy: -8.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -765.314451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.314451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.314451 (E_RNA) where: Base-Base interactions energy: -365.823 where: short stacking energy: -216.458 Base-Backbone interact. energy: 0.940 local terms energy: -400.431706 where: bonds (distance) C4'-P energy: -115.286 bonds (distance) P-C4' energy: -125.101 flat angles C4'-P-C4' energy: -119.711 flat angles P-C4'-P energy: -67.733 tors. eta vs tors. theta energy: 27.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2563.540756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.540756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.540756 (E_RNA) where: Base-Base interactions energy: -1762.980 where: short stacking energy: -744.766 Base-Backbone interact. energy: -4.405 local terms energy: -796.155840 where: bonds (distance) C4'-P energy: -133.800 bonds (distance) P-C4' energy: -150.129 flat angles C4'-P-C4' energy: -174.751 flat angles P-C4'-P energy: -119.310 tors. eta vs tors. theta energy: -218.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2449.890456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.890456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.890456 (E_RNA) where: Base-Base interactions energy: -1644.962 where: short stacking energy: -723.817 Base-Backbone interact. energy: -0.882 local terms energy: -804.046307 where: bonds (distance) C4'-P energy: -142.622 bonds (distance) P-C4' energy: -157.569 flat angles C4'-P-C4' energy: -170.407 flat angles P-C4'-P energy: -120.087 tors. eta vs tors. theta energy: -213.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2238.273081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.273081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.273081 (E_RNA) where: Base-Base interactions energy: -1527.991 where: short stacking energy: -647.146 Base-Backbone interact. energy: -0.607 local terms energy: -709.675860 where: bonds (distance) C4'-P energy: -136.927 bonds (distance) P-C4' energy: -142.145 flat angles C4'-P-C4' energy: -156.832 flat angles P-C4'-P energy: -111.080 tors. eta vs tors. theta energy: -162.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2121.196409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.196409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.196409 (E_RNA) where: Base-Base interactions energy: -1425.478 where: short stacking energy: -627.903 Base-Backbone interact. energy: -0.761 local terms energy: -695.195270 where: bonds (distance) C4'-P energy: -138.081 bonds (distance) P-C4' energy: -134.065 flat angles C4'-P-C4' energy: -136.001 flat angles P-C4'-P energy: -105.543 tors. eta vs tors. theta energy: -181.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.238 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1938.218415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.218415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.218415 (E_RNA) where: Base-Base interactions energy: -1285.191 where: short stacking energy: -596.230 Base-Backbone interact. energy: 1.821 local terms energy: -654.847670 where: bonds (distance) C4'-P energy: -119.313 bonds (distance) P-C4' energy: -129.535 flat angles C4'-P-C4' energy: -158.260 flat angles P-C4'-P energy: -96.654 tors. eta vs tors. theta energy: -151.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1870.894478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.894478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.894478 (E_RNA) where: Base-Base interactions energy: -1278.867 where: short stacking energy: -517.141 Base-Backbone interact. energy: -1.881 local terms energy: -590.147277 where: bonds (distance) C4'-P energy: -109.422 bonds (distance) P-C4' energy: -137.102 flat angles C4'-P-C4' energy: -132.240 flat angles P-C4'-P energy: -84.477 tors. eta vs tors. theta energy: -126.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1622.322461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.322461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.322461 (E_RNA) where: Base-Base interactions energy: -1030.956 where: short stacking energy: -476.064 Base-Backbone interact. energy: 0.862 local terms energy: -592.227609 where: bonds (distance) C4'-P energy: -141.752 bonds (distance) P-C4' energy: -130.216 flat angles C4'-P-C4' energy: -136.629 flat angles P-C4'-P energy: -81.629 tors. eta vs tors. theta energy: -102.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1250.787618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.787618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.787618 (E_RNA) where: Base-Base interactions energy: -730.109 where: short stacking energy: -351.645 Base-Backbone interact. energy: 1.169 local terms energy: -521.847895 where: bonds (distance) C4'-P energy: -136.182 bonds (distance) P-C4' energy: -133.783 flat angles C4'-P-C4' energy: -124.642 flat angles P-C4'-P energy: -70.420 tors. eta vs tors. theta energy: -56.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -866.866635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.866635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.866635 (E_RNA) where: Base-Base interactions energy: -461.194 where: short stacking energy: -267.510 Base-Backbone interact. energy: -3.139 local terms energy: -402.532813 where: bonds (distance) C4'-P energy: -113.895 bonds (distance) P-C4' energy: -133.571 flat angles C4'-P-C4' energy: -88.438 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: -12.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -754.534916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.534916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.534916 (E_RNA) where: Base-Base interactions energy: -340.742 where: short stacking energy: -203.667 Base-Backbone interact. energy: -0.772 local terms energy: -413.020418 where: bonds (distance) C4'-P energy: -123.563 bonds (distance) P-C4' energy: -126.324 flat angles C4'-P-C4' energy: -102.674 flat angles P-C4'-P energy: -56.237 tors. eta vs tors. theta energy: -4.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2568.128226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.128226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.128226 (E_RNA) where: Base-Base interactions energy: -1752.802 where: short stacking energy: -746.488 Base-Backbone interact. energy: -0.495 local terms energy: -814.831364 where: bonds (distance) C4'-P energy: -147.696 bonds (distance) P-C4' energy: -164.858 flat angles C4'-P-C4' energy: -157.629 flat angles P-C4'-P energy: -122.820 tors. eta vs tors. theta energy: -221.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2437.946138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.946138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.946138 (E_RNA) where: Base-Base interactions energy: -1659.928 where: short stacking energy: -735.904 Base-Backbone interact. energy: -2.477 local terms energy: -775.540490 where: bonds (distance) C4'-P energy: -135.247 bonds (distance) P-C4' energy: -156.663 flat angles C4'-P-C4' energy: -164.611 flat angles P-C4'-P energy: -107.692 tors. eta vs tors. theta energy: -211.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2281.002979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.002979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.002979 (E_RNA) where: Base-Base interactions energy: -1596.009 where: short stacking energy: -653.597 Base-Backbone interact. energy: -1.037 local terms energy: -683.957261 where: bonds (distance) C4'-P energy: -138.245 bonds (distance) P-C4' energy: -139.277 flat angles C4'-P-C4' energy: -158.056 flat angles P-C4'-P energy: -76.207 tors. eta vs tors. theta energy: -172.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2106.842756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.842756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.842756 (E_RNA) where: Base-Base interactions energy: -1406.669 where: short stacking energy: -624.231 Base-Backbone interact. energy: 3.386 local terms energy: -703.559957 where: bonds (distance) C4'-P energy: -133.513 bonds (distance) P-C4' energy: -140.804 flat angles C4'-P-C4' energy: -152.995 flat angles P-C4'-P energy: -106.682 tors. eta vs tors. theta energy: -169.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1884.110659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.110659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.110659 (E_RNA) where: Base-Base interactions energy: -1210.285 where: short stacking energy: -526.813 Base-Backbone interact. energy: -0.001 local terms energy: -673.824919 where: bonds (distance) C4'-P energy: -131.389 bonds (distance) P-C4' energy: -151.631 flat angles C4'-P-C4' energy: -136.545 flat angles P-C4'-P energy: -98.570 tors. eta vs tors. theta energy: -155.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1860.200421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.200421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.200421 (E_RNA) where: Base-Base interactions energy: -1238.140 where: short stacking energy: -497.639 Base-Backbone interact. energy: -0.850 local terms energy: -621.210056 where: bonds (distance) C4'-P energy: -122.088 bonds (distance) P-C4' energy: -144.447 flat angles C4'-P-C4' energy: -132.610 flat angles P-C4'-P energy: -104.954 tors. eta vs tors. theta energy: -117.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1643.598899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.598899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.598899 (E_RNA) where: Base-Base interactions energy: -1060.903 where: short stacking energy: -469.791 Base-Backbone interact. energy: 2.151 local terms energy: -584.846534 where: bonds (distance) C4'-P energy: -125.812 bonds (distance) P-C4' energy: -131.294 flat angles C4'-P-C4' energy: -130.773 flat angles P-C4'-P energy: -86.179 tors. eta vs tors. theta energy: -110.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1236.405024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.405024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.405024 (E_RNA) where: Base-Base interactions energy: -724.115 where: short stacking energy: -335.113 Base-Backbone interact. energy: -2.873 local terms energy: -509.416956 where: bonds (distance) C4'-P energy: -117.546 bonds (distance) P-C4' energy: -126.596 flat angles C4'-P-C4' energy: -131.217 flat angles P-C4'-P energy: -86.026 tors. eta vs tors. theta energy: -48.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -867.152022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.152022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.152022 (E_RNA) where: Base-Base interactions energy: -434.290 where: short stacking energy: -261.139 Base-Backbone interact. energy: -1.125 local terms energy: -431.736238 where: bonds (distance) C4'-P energy: -114.822 bonds (distance) P-C4' energy: -125.657 flat angles C4'-P-C4' energy: -103.877 flat angles P-C4'-P energy: -76.657 tors. eta vs tors. theta energy: -10.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -691.087034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.087034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.087034 (E_RNA) where: Base-Base interactions energy: -334.311 where: short stacking energy: -205.181 Base-Backbone interact. energy: 3.921 local terms energy: -360.696715 where: bonds (distance) C4'-P energy: -115.917 bonds (distance) P-C4' energy: -112.984 flat angles C4'-P-C4' energy: -78.605 flat angles P-C4'-P energy: -66.746 tors. eta vs tors. theta energy: 13.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2546.004456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.004456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.004456 (E_RNA) where: Base-Base interactions energy: -1733.286 where: short stacking energy: -758.268 Base-Backbone interact. energy: -1.699 local terms energy: -811.020138 where: bonds (distance) C4'-P energy: -138.207 bonds (distance) P-C4' energy: -159.143 flat angles C4'-P-C4' energy: -181.766 flat angles P-C4'-P energy: -105.982 tors. eta vs tors. theta energy: -225.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2449.579398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.579398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.579398 (E_RNA) where: Base-Base interactions energy: -1658.608 where: short stacking energy: -735.848 Base-Backbone interact. energy: -1.069 local terms energy: -789.901872 where: bonds (distance) C4'-P energy: -151.376 bonds (distance) P-C4' energy: -145.487 flat angles C4'-P-C4' energy: -165.967 flat angles P-C4'-P energy: -108.292 tors. eta vs tors. theta energy: -218.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2260.754799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.754799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.754799 (E_RNA) where: Base-Base interactions energy: -1562.446 where: short stacking energy: -643.182 Base-Backbone interact. energy: -2.122 local terms energy: -696.186219 where: bonds (distance) C4'-P energy: -136.076 bonds (distance) P-C4' energy: -143.754 flat angles C4'-P-C4' energy: -155.253 flat angles P-C4'-P energy: -103.825 tors. eta vs tors. theta energy: -157.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2107.935196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.935196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.935196 (E_RNA) where: Base-Base interactions energy: -1411.184 where: short stacking energy: -613.916 Base-Backbone interact. energy: -2.293 local terms energy: -694.459082 where: bonds (distance) C4'-P energy: -138.101 bonds (distance) P-C4' energy: -133.679 flat angles C4'-P-C4' energy: -143.986 flat angles P-C4'-P energy: -108.846 tors. eta vs tors. theta energy: -169.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1953.308413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.308413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.308413 (E_RNA) where: Base-Base interactions energy: -1293.299 where: short stacking energy: -585.791 Base-Backbone interact. energy: -0.219 local terms energy: -659.790870 where: bonds (distance) C4'-P energy: -114.804 bonds (distance) P-C4' energy: -147.304 flat angles C4'-P-C4' energy: -140.530 flat angles P-C4'-P energy: -98.980 tors. eta vs tors. theta energy: -158.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1844.781353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.781353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.781353 (E_RNA) where: Base-Base interactions energy: -1214.939 where: short stacking energy: -504.520 Base-Backbone interact. energy: -4.361 local terms energy: -625.480747 where: bonds (distance) C4'-P energy: -129.745 bonds (distance) P-C4' energy: -128.723 flat angles C4'-P-C4' energy: -140.487 flat angles P-C4'-P energy: -90.313 tors. eta vs tors. theta energy: -136.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1647.181450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.181450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.181450 (E_RNA) where: Base-Base interactions energy: -1062.256 where: short stacking energy: -471.179 Base-Backbone interact. energy: -0.467 local terms energy: -584.458661 where: bonds (distance) C4'-P energy: -120.574 bonds (distance) P-C4' energy: -139.648 flat angles C4'-P-C4' energy: -142.805 flat angles P-C4'-P energy: -86.769 tors. eta vs tors. theta energy: -94.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1206.215281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.215281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.215281 (E_RNA) where: Base-Base interactions energy: -733.135 where: short stacking energy: -339.018 Base-Backbone interact. energy: -4.572 local terms energy: -468.508971 where: bonds (distance) C4'-P energy: -110.346 bonds (distance) P-C4' energy: -141.680 flat angles C4'-P-C4' energy: -113.906 flat angles P-C4'-P energy: -62.553 tors. eta vs tors. theta energy: -40.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -805.266171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.266171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.266171 (E_RNA) where: Base-Base interactions energy: -412.137 where: short stacking energy: -265.623 Base-Backbone interact. energy: -0.379 local terms energy: -392.750213 where: bonds (distance) C4'-P energy: -114.419 bonds (distance) P-C4' energy: -140.042 flat angles C4'-P-C4' energy: -75.084 flat angles P-C4'-P energy: -67.801 tors. eta vs tors. theta energy: 4.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -748.816107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.816107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.816107 (E_RNA) where: Base-Base interactions energy: -294.858 where: short stacking energy: -198.612 Base-Backbone interact. energy: -3.061 local terms energy: -450.897427 where: bonds (distance) C4'-P energy: -125.457 bonds (distance) P-C4' energy: -131.824 flat angles C4'-P-C4' energy: -126.940 flat angles P-C4'-P energy: -63.669 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2582.786995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.786995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.786995 (E_RNA) where: Base-Base interactions energy: -1789.592 where: short stacking energy: -785.460 Base-Backbone interact. energy: 2.327 local terms energy: -795.521910 where: bonds (distance) C4'-P energy: -141.340 bonds (distance) P-C4' energy: -155.778 flat angles C4'-P-C4' energy: -163.169 flat angles P-C4'-P energy: -106.763 tors. eta vs tors. theta energy: -228.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2468.986132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.986132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.986132 (E_RNA) where: Base-Base interactions energy: -1665.075 where: short stacking energy: -760.323 Base-Backbone interact. energy: -2.829 local terms energy: -801.081403 where: bonds (distance) C4'-P energy: -148.592 bonds (distance) P-C4' energy: -142.177 flat angles C4'-P-C4' energy: -169.446 flat angles P-C4'-P energy: -118.265 tors. eta vs tors. theta energy: -222.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2290.223881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.223881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.223881 (E_RNA) where: Base-Base interactions energy: -1573.937 where: short stacking energy: -645.859 Base-Backbone interact. energy: -0.220 local terms energy: -716.066115 where: bonds (distance) C4'-P energy: -125.988 bonds (distance) P-C4' energy: -155.457 flat angles C4'-P-C4' energy: -160.431 flat angles P-C4'-P energy: -103.823 tors. eta vs tors. theta energy: -170.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2047.619619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.619619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.619619 (E_RNA) where: Base-Base interactions energy: -1340.175 where: short stacking energy: -617.012 Base-Backbone interact. energy: -4.425 local terms energy: -703.019454 where: bonds (distance) C4'-P energy: -132.435 bonds (distance) P-C4' energy: -127.144 flat angles C4'-P-C4' energy: -153.794 flat angles P-C4'-P energy: -112.264 tors. eta vs tors. theta energy: -177.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1955.515636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.515636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.515636 (E_RNA) where: Base-Base interactions energy: -1304.506 where: short stacking energy: -573.756 Base-Backbone interact. energy: -5.403 local terms energy: -645.607228 where: bonds (distance) C4'-P energy: -125.623 bonds (distance) P-C4' energy: -132.571 flat angles C4'-P-C4' energy: -129.849 flat angles P-C4'-P energy: -103.030 tors. eta vs tors. theta energy: -154.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1928.175051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.175051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.175051 (E_RNA) where: Base-Base interactions energy: -1255.542 where: short stacking energy: -522.847 Base-Backbone interact. energy: -4.847 local terms energy: -667.786486 where: bonds (distance) C4'-P energy: -127.795 bonds (distance) P-C4' energy: -146.554 flat angles C4'-P-C4' energy: -155.042 flat angles P-C4'-P energy: -98.374 tors. eta vs tors. theta energy: -140.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1618.853732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.853732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.853732 (E_RNA) where: Base-Base interactions energy: -1054.677 where: short stacking energy: -449.559 Base-Backbone interact. energy: -1.102 local terms energy: -563.074956 where: bonds (distance) C4'-P energy: -110.131 bonds (distance) P-C4' energy: -134.502 flat angles C4'-P-C4' energy: -127.637 flat angles P-C4'-P energy: -80.117 tors. eta vs tors. theta energy: -110.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1271.986380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.986380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.986380 (E_RNA) where: Base-Base interactions energy: -791.981 where: short stacking energy: -335.330 Base-Backbone interact. energy: -1.091 local terms energy: -478.914368 where: bonds (distance) C4'-P energy: -103.448 bonds (distance) P-C4' energy: -145.314 flat angles C4'-P-C4' energy: -123.054 flat angles P-C4'-P energy: -70.054 tors. eta vs tors. theta energy: -37.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -876.867598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.867598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.867598 (E_RNA) where: Base-Base interactions energy: -457.762 where: short stacking energy: -209.137 Base-Backbone interact. energy: 0.960 local terms energy: -420.065851 where: bonds (distance) C4'-P energy: -109.518 bonds (distance) P-C4' energy: -119.885 flat angles C4'-P-C4' energy: -115.358 flat angles P-C4'-P energy: -72.282 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -691.113974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.113974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.113974 (E_RNA) where: Base-Base interactions energy: -289.608 where: short stacking energy: -167.995 Base-Backbone interact. energy: 1.359 local terms energy: -402.865786 where: bonds (distance) C4'-P energy: -110.553 bonds (distance) P-C4' energy: -130.363 flat angles C4'-P-C4' energy: -117.620 flat angles P-C4'-P energy: -72.675 tors. eta vs tors. theta energy: 28.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2597.213748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.213748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.213748 (E_RNA) where: Base-Base interactions energy: -1799.771 where: short stacking energy: -756.300 Base-Backbone interact. energy: -1.095 local terms energy: -796.347812 where: bonds (distance) C4'-P energy: -139.940 bonds (distance) P-C4' energy: -152.775 flat angles C4'-P-C4' energy: -170.566 flat angles P-C4'-P energy: -108.668 tors. eta vs tors. theta energy: -224.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2459.326656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.326656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.326656 (E_RNA) where: Base-Base interactions energy: -1691.896 where: short stacking energy: -743.612 Base-Backbone interact. energy: -2.350 local terms energy: -765.080771 where: bonds (distance) C4'-P energy: -133.585 bonds (distance) P-C4' energy: -149.472 flat angles C4'-P-C4' energy: -175.025 flat angles P-C4'-P energy: -95.254 tors. eta vs tors. theta energy: -211.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2277.628208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.628208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.628208 (E_RNA) where: Base-Base interactions energy: -1566.569 where: short stacking energy: -662.883 Base-Backbone interact. energy: -2.038 local terms energy: -709.020984 where: bonds (distance) C4'-P energy: -136.498 bonds (distance) P-C4' energy: -125.736 flat angles C4'-P-C4' energy: -164.344 flat angles P-C4'-P energy: -109.674 tors. eta vs tors. theta energy: -172.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2106.173400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.173400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.173400 (E_RNA) where: Base-Base interactions energy: -1409.231 where: short stacking energy: -634.644 Base-Backbone interact. energy: -3.328 local terms energy: -693.615085 where: bonds (distance) C4'-P energy: -132.758 bonds (distance) P-C4' energy: -126.719 flat angles C4'-P-C4' energy: -159.227 flat angles P-C4'-P energy: -97.995 tors. eta vs tors. theta energy: -176.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1973.904394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.904394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.904394 (E_RNA) where: Base-Base interactions energy: -1316.446 where: short stacking energy: -590.001 Base-Backbone interact. energy: 2.747 local terms energy: -660.205289 where: bonds (distance) C4'-P energy: -138.054 bonds (distance) P-C4' energy: -131.356 flat angles C4'-P-C4' energy: -144.602 flat angles P-C4'-P energy: -88.766 tors. eta vs tors. theta energy: -157.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1877.842930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.842930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.842930 (E_RNA) where: Base-Base interactions energy: -1265.100 where: short stacking energy: -543.325 Base-Backbone interact. energy: 0.554 local terms energy: -613.296898 where: bonds (distance) C4'-P energy: -132.199 bonds (distance) P-C4' energy: -111.648 flat angles C4'-P-C4' energy: -151.824 flat angles P-C4'-P energy: -87.458 tors. eta vs tors. theta energy: -130.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1650.957781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.957781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.957781 (E_RNA) where: Base-Base interactions energy: -1056.810 where: short stacking energy: -467.841 Base-Backbone interact. energy: -1.741 local terms energy: -592.406382 where: bonds (distance) C4'-P energy: -137.648 bonds (distance) P-C4' energy: -115.421 flat angles C4'-P-C4' energy: -154.378 flat angles P-C4'-P energy: -77.623 tors. eta vs tors. theta energy: -107.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1290.971493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.971493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.971493 (E_RNA) where: Base-Base interactions energy: -786.931 where: short stacking energy: -369.961 Base-Backbone interact. energy: -4.600 local terms energy: -499.440339 where: bonds (distance) C4'-P energy: -121.422 bonds (distance) P-C4' energy: -139.015 flat angles C4'-P-C4' energy: -115.949 flat angles P-C4'-P energy: -68.188 tors. eta vs tors. theta energy: -54.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -912.622292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.622292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.622292 (E_RNA) where: Base-Base interactions energy: -486.443 where: short stacking energy: -268.856 Base-Backbone interact. energy: 3.781 local terms energy: -429.960514 where: bonds (distance) C4'-P energy: -132.504 bonds (distance) P-C4' energy: -114.076 flat angles C4'-P-C4' energy: -94.600 flat angles P-C4'-P energy: -71.296 tors. eta vs tors. theta energy: -17.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -659.157067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.157067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.157067 (E_RNA) where: Base-Base interactions energy: -263.335 where: short stacking energy: -165.061 Base-Backbone interact. energy: 3.704 local terms energy: -399.525785 where: bonds (distance) C4'-P energy: -112.658 bonds (distance) P-C4' energy: -119.951 flat angles C4'-P-C4' energy: -125.745 flat angles P-C4'-P energy: -52.747 tors. eta vs tors. theta energy: 11.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2599.207974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.207974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.207974 (E_RNA) where: Base-Base interactions energy: -1792.030 where: short stacking energy: -788.296 Base-Backbone interact. energy: -2.150 local terms energy: -805.028702 where: bonds (distance) C4'-P energy: -146.907 bonds (distance) P-C4' energy: -155.004 flat angles C4'-P-C4' energy: -176.166 flat angles P-C4'-P energy: -106.699 tors. eta vs tors. theta energy: -220.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2448.433630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.433630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.433630 (E_RNA) where: Base-Base interactions energy: -1696.565 where: short stacking energy: -765.639 Base-Backbone interact. energy: -3.572 local terms energy: -748.297008 where: bonds (distance) C4'-P energy: -124.791 bonds (distance) P-C4' energy: -144.690 flat angles C4'-P-C4' energy: -164.723 flat angles P-C4'-P energy: -98.214 tors. eta vs tors. theta energy: -215.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2277.595703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.595703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.595703 (E_RNA) where: Base-Base interactions energy: -1551.237 where: short stacking energy: -637.989 Base-Backbone interact. energy: 0.763 local terms energy: -727.121618 where: bonds (distance) C4'-P energy: -136.395 bonds (distance) P-C4' energy: -151.330 flat angles C4'-P-C4' energy: -151.359 flat angles P-C4'-P energy: -112.191 tors. eta vs tors. theta energy: -175.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2111.609321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.609321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.609321 (E_RNA) where: Base-Base interactions energy: -1398.379 where: short stacking energy: -630.414 Base-Backbone interact. energy: 0.809 local terms energy: -714.505000 where: bonds (distance) C4'-P energy: -142.685 bonds (distance) P-C4' energy: -129.456 flat angles C4'-P-C4' energy: -159.925 flat angles P-C4'-P energy: -105.940 tors. eta vs tors. theta energy: -176.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.466 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2007.520035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.520035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.520035 (E_RNA) where: Base-Base interactions energy: -1372.648 where: short stacking energy: -598.651 Base-Backbone interact. energy: 0.973 local terms energy: -635.845098 where: bonds (distance) C4'-P energy: -118.817 bonds (distance) P-C4' energy: -128.532 flat angles C4'-P-C4' energy: -146.427 flat angles P-C4'-P energy: -92.946 tors. eta vs tors. theta energy: -149.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1839.681849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.681849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.681849 (E_RNA) where: Base-Base interactions energy: -1216.692 where: short stacking energy: -546.280 Base-Backbone interact. energy: -2.841 local terms energy: -620.148634 where: bonds (distance) C4'-P energy: -130.464 bonds (distance) P-C4' energy: -140.179 flat angles C4'-P-C4' energy: -140.472 flat angles P-C4'-P energy: -70.420 tors. eta vs tors. theta energy: -138.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1618.401318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.401318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.401318 (E_RNA) where: Base-Base interactions energy: -1078.876 where: short stacking energy: -500.859 Base-Backbone interact. energy: 1.693 local terms energy: -541.218498 where: bonds (distance) C4'-P energy: -115.738 bonds (distance) P-C4' energy: -130.345 flat angles C4'-P-C4' energy: -114.583 flat angles P-C4'-P energy: -67.390 tors. eta vs tors. theta energy: -113.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1207.115049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.115049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.115049 (E_RNA) where: Base-Base interactions energy: -735.646 where: short stacking energy: -334.493 Base-Backbone interact. energy: -0.720 local terms energy: -470.749558 where: bonds (distance) C4'-P energy: -104.069 bonds (distance) P-C4' energy: -143.657 flat angles C4'-P-C4' energy: -128.329 flat angles P-C4'-P energy: -65.964 tors. eta vs tors. theta energy: -28.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -883.408942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.408942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.408942 (E_RNA) where: Base-Base interactions energy: -450.559 where: short stacking energy: -258.525 Base-Backbone interact. energy: 0.274 local terms energy: -433.123584 where: bonds (distance) C4'-P energy: -131.305 bonds (distance) P-C4' energy: -118.940 flat angles C4'-P-C4' energy: -116.856 flat angles P-C4'-P energy: -60.408 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -749.419242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.419242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.419242 (E_RNA) where: Base-Base interactions energy: -345.541 where: short stacking energy: -200.274 Base-Backbone interact. energy: 3.252 local terms energy: -407.130043 where: bonds (distance) C4'-P energy: -129.174 bonds (distance) P-C4' energy: -112.093 flat angles C4'-P-C4' energy: -116.095 flat angles P-C4'-P energy: -66.527 tors. eta vs tors. theta energy: 16.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2614.324196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.324196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.324196 (E_RNA) where: Base-Base interactions energy: -1801.654 where: short stacking energy: -768.561 Base-Backbone interact. energy: -4.158 local terms energy: -808.512849 where: bonds (distance) C4'-P energy: -147.105 bonds (distance) P-C4' energy: -154.479 flat angles C4'-P-C4' energy: -175.523 flat angles P-C4'-P energy: -107.993 tors. eta vs tors. theta energy: -223.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2463.470329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.470329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.470329 (E_RNA) where: Base-Base interactions energy: -1655.229 where: short stacking energy: -739.891 Base-Backbone interact. energy: -3.062 local terms energy: -805.179877 where: bonds (distance) C4'-P energy: -146.708 bonds (distance) P-C4' energy: -145.336 flat angles C4'-P-C4' energy: -180.104 flat angles P-C4'-P energy: -118.673 tors. eta vs tors. theta energy: -214.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2266.385021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.385021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.385021 (E_RNA) where: Base-Base interactions energy: -1555.891 where: short stacking energy: -633.792 Base-Backbone interact. energy: -2.867 local terms energy: -707.627163 where: bonds (distance) C4'-P energy: -129.341 bonds (distance) P-C4' energy: -140.056 flat angles C4'-P-C4' energy: -156.565 flat angles P-C4'-P energy: -109.815 tors. eta vs tors. theta energy: -171.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2120.322243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.322243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.322243 (E_RNA) where: Base-Base interactions energy: -1429.474 where: short stacking energy: -619.813 Base-Backbone interact. energy: -1.520 local terms energy: -689.328321 where: bonds (distance) C4'-P energy: -140.719 bonds (distance) P-C4' energy: -139.998 flat angles C4'-P-C4' energy: -154.654 flat angles P-C4'-P energy: -90.276 tors. eta vs tors. theta energy: -163.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1988.684122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.684122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.684122 (E_RNA) where: Base-Base interactions energy: -1313.929 where: short stacking energy: -584.724 Base-Backbone interact. energy: -2.847 local terms energy: -671.908595 where: bonds (distance) C4'-P energy: -139.357 bonds (distance) P-C4' energy: -132.753 flat angles C4'-P-C4' energy: -161.002 flat angles P-C4'-P energy: -79.301 tors. eta vs tors. theta energy: -159.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1838.251717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.251717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.251717 (E_RNA) where: Base-Base interactions energy: -1237.375 where: short stacking energy: -523.953 Base-Backbone interact. energy: 1.419 local terms energy: -602.296087 where: bonds (distance) C4'-P energy: -118.860 bonds (distance) P-C4' energy: -138.517 flat angles C4'-P-C4' energy: -129.247 flat angles P-C4'-P energy: -88.878 tors. eta vs tors. theta energy: -126.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1594.670792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.670792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.670792 (E_RNA) where: Base-Base interactions energy: -1014.978 where: short stacking energy: -477.216 Base-Backbone interact. energy: -3.705 local terms energy: -575.987316 where: bonds (distance) C4'-P energy: -123.428 bonds (distance) P-C4' energy: -124.255 flat angles C4'-P-C4' energy: -146.741 flat angles P-C4'-P energy: -74.882 tors. eta vs tors. theta energy: -106.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1141.492945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.492945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.492945 (E_RNA) where: Base-Base interactions energy: -642.374 where: short stacking energy: -328.795 Base-Backbone interact. energy: 0.720 local terms energy: -499.838577 where: bonds (distance) C4'-P energy: -121.641 bonds (distance) P-C4' energy: -129.134 flat angles C4'-P-C4' energy: -128.485 flat angles P-C4'-P energy: -67.807 tors. eta vs tors. theta energy: -52.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -756.882529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.882529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.882529 (E_RNA) where: Base-Base interactions energy: -358.291 where: short stacking energy: -193.812 Base-Backbone interact. energy: -2.703 local terms energy: -395.888550 where: bonds (distance) C4'-P energy: -121.840 bonds (distance) P-C4' energy: -128.902 flat angles C4'-P-C4' energy: -113.350 flat angles P-C4'-P energy: -45.736 tors. eta vs tors. theta energy: 13.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -659.551451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.551451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.551451 (E_RNA) where: Base-Base interactions energy: -292.681 where: short stacking energy: -185.299 Base-Backbone interact. energy: -1.784 local terms energy: -365.086688 where: bonds (distance) C4'-P energy: -99.553 bonds (distance) P-C4' energy: -125.522 flat angles C4'-P-C4' energy: -108.036 flat angles P-C4'-P energy: -65.596 tors. eta vs tors. theta energy: 33.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2587.655367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.655367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.655367 (E_RNA) where: Base-Base interactions energy: -1818.922 where: short stacking energy: -764.714 Base-Backbone interact. energy: -1.946 local terms energy: -766.787066 where: bonds (distance) C4'-P energy: -132.032 bonds (distance) P-C4' energy: -132.144 flat angles C4'-P-C4' energy: -171.268 flat angles P-C4'-P energy: -108.354 tors. eta vs tors. theta energy: -222.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2478.316257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.316257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.316257 (E_RNA) where: Base-Base interactions energy: -1695.085 where: short stacking energy: -755.853 Base-Backbone interact. energy: -3.044 local terms energy: -780.187879 where: bonds (distance) C4'-P energy: -141.267 bonds (distance) P-C4' energy: -136.881 flat angles C4'-P-C4' energy: -167.019 flat angles P-C4'-P energy: -116.328 tors. eta vs tors. theta energy: -218.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2290.345920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.345920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.345920 (E_RNA) where: Base-Base interactions energy: -1604.803 where: short stacking energy: -635.148 Base-Backbone interact. energy: 1.629 local terms energy: -687.172302 where: bonds (distance) C4'-P energy: -140.353 bonds (distance) P-C4' energy: -136.867 flat angles C4'-P-C4' energy: -154.064 flat angles P-C4'-P energy: -96.704 tors. eta vs tors. theta energy: -159.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2074.613502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.613502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.613502 (E_RNA) where: Base-Base interactions energy: -1411.043 where: short stacking energy: -612.985 Base-Backbone interact. energy: -1.793 local terms energy: -661.777592 where: bonds (distance) C4'-P energy: -128.195 bonds (distance) P-C4' energy: -132.109 flat angles C4'-P-C4' energy: -151.513 flat angles P-C4'-P energy: -93.683 tors. eta vs tors. theta energy: -156.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2059.863726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.863726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.863726 (E_RNA) where: Base-Base interactions energy: -1359.516 where: short stacking energy: -613.515 Base-Backbone interact. energy: -3.236 local terms energy: -697.111865 where: bonds (distance) C4'-P energy: -136.886 bonds (distance) P-C4' energy: -128.858 flat angles C4'-P-C4' energy: -156.374 flat angles P-C4'-P energy: -103.956 tors. eta vs tors. theta energy: -171.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1878.379137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.379137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.379137 (E_RNA) where: Base-Base interactions energy: -1262.136 where: short stacking energy: -544.607 Base-Backbone interact. energy: 4.845 local terms energy: -621.087557 where: bonds (distance) C4'-P energy: -113.872 bonds (distance) P-C4' energy: -144.130 flat angles C4'-P-C4' energy: -140.727 flat angles P-C4'-P energy: -87.184 tors. eta vs tors. theta energy: -135.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1629.831394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.831394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.831394 (E_RNA) where: Base-Base interactions energy: -1060.531 where: short stacking energy: -474.682 Base-Backbone interact. energy: -3.372 local terms energy: -565.928427 where: bonds (distance) C4'-P energy: -119.869 bonds (distance) P-C4' energy: -133.644 flat angles C4'-P-C4' energy: -133.177 flat angles P-C4'-P energy: -69.789 tors. eta vs tors. theta energy: -109.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1072.195725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.195725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.195725 (E_RNA) where: Base-Base interactions energy: -608.988 where: short stacking energy: -317.551 Base-Backbone interact. energy: 3.078 local terms energy: -466.285899 where: bonds (distance) C4'-P energy: -111.429 bonds (distance) P-C4' energy: -130.635 flat angles C4'-P-C4' energy: -108.080 flat angles P-C4'-P energy: -74.875 tors. eta vs tors. theta energy: -41.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -798.435887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.435887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.435887 (E_RNA) where: Base-Base interactions energy: -355.909 where: short stacking energy: -210.751 Base-Backbone interact. energy: 4.414 local terms energy: -446.941130 where: bonds (distance) C4'-P energy: -117.556 bonds (distance) P-C4' energy: -140.233 flat angles C4'-P-C4' energy: -125.113 flat angles P-C4'-P energy: -59.530 tors. eta vs tors. theta energy: -4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -696.411122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.411122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.411122 (E_RNA) where: Base-Base interactions energy: -321.016 where: short stacking energy: -188.083 Base-Backbone interact. energy: -1.190 local terms energy: -374.205092 where: bonds (distance) C4'-P energy: -108.903 bonds (distance) P-C4' energy: -118.295 flat angles C4'-P-C4' energy: -96.091 flat angles P-C4'-P energy: -54.171 tors. eta vs tors. theta energy: 3.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2610.154313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.154313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.154313 (E_RNA) where: Base-Base interactions energy: -1819.196 where: short stacking energy: -745.413 Base-Backbone interact. energy: -3.835 local terms energy: -787.123769 where: bonds (distance) C4'-P energy: -150.449 bonds (distance) P-C4' energy: -152.215 flat angles C4'-P-C4' energy: -161.214 flat angles P-C4'-P energy: -111.913 tors. eta vs tors. theta energy: -211.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2501.743926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.743926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.743926 (E_RNA) where: Base-Base interactions energy: -1706.151 where: short stacking energy: -733.696 Base-Backbone interact. energy: -2.374 local terms energy: -793.218860 where: bonds (distance) C4'-P energy: -140.727 bonds (distance) P-C4' energy: -153.983 flat angles C4'-P-C4' energy: -167.840 flat angles P-C4'-P energy: -103.770 tors. eta vs tors. theta energy: -226.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2276.633987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.633987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.633987 (E_RNA) where: Base-Base interactions energy: -1578.523 where: short stacking energy: -646.399 Base-Backbone interact. energy: 2.512 local terms energy: -700.623339 where: bonds (distance) C4'-P energy: -142.171 bonds (distance) P-C4' energy: -141.026 flat angles C4'-P-C4' energy: -161.105 flat angles P-C4'-P energy: -93.496 tors. eta vs tors. theta energy: -162.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2113.653000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.653000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.653000 (E_RNA) where: Base-Base interactions energy: -1433.112 where: short stacking energy: -612.511 Base-Backbone interact. energy: -2.775 local terms energy: -677.765502 where: bonds (distance) C4'-P energy: -139.880 bonds (distance) P-C4' energy: -145.470 flat angles C4'-P-C4' energy: -140.018 flat angles P-C4'-P energy: -89.993 tors. eta vs tors. theta energy: -162.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2001.925527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.925527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.925527 (E_RNA) where: Base-Base interactions energy: -1337.568 where: short stacking energy: -567.929 Base-Backbone interact. energy: 1.209 local terms energy: -665.566554 where: bonds (distance) C4'-P energy: -142.228 bonds (distance) P-C4' energy: -140.100 flat angles C4'-P-C4' energy: -155.707 flat angles P-C4'-P energy: -88.083 tors. eta vs tors. theta energy: -139.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1859.664377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.664377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.664377 (E_RNA) where: Base-Base interactions energy: -1249.348 where: short stacking energy: -532.534 Base-Backbone interact. energy: 4.209 local terms energy: -614.524737 where: bonds (distance) C4'-P energy: -120.081 bonds (distance) P-C4' energy: -143.593 flat angles C4'-P-C4' energy: -136.800 flat angles P-C4'-P energy: -84.939 tors. eta vs tors. theta energy: -129.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1647.454655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.454655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.454655 (E_RNA) where: Base-Base interactions energy: -1037.508 where: short stacking energy: -472.659 Base-Backbone interact. energy: -2.898 local terms energy: -607.048108 where: bonds (distance) C4'-P energy: -118.294 bonds (distance) P-C4' energy: -141.958 flat angles C4'-P-C4' energy: -143.353 flat angles P-C4'-P energy: -86.746 tors. eta vs tors. theta energy: -116.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1066.308202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.308202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.308202 (E_RNA) where: Base-Base interactions energy: -591.151 where: short stacking energy: -322.106 Base-Backbone interact. energy: 7.952 local terms energy: -483.109119 where: bonds (distance) C4'-P energy: -134.027 bonds (distance) P-C4' energy: -125.285 flat angles C4'-P-C4' energy: -110.766 flat angles P-C4'-P energy: -74.473 tors. eta vs tors. theta energy: -38.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -822.090817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.090817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.090817 (E_RNA) where: Base-Base interactions energy: -395.534 where: short stacking energy: -237.772 Base-Backbone interact. energy: -1.267 local terms energy: -425.289636 where: bonds (distance) C4'-P energy: -130.752 bonds (distance) P-C4' energy: -119.541 flat angles C4'-P-C4' energy: -111.854 flat angles P-C4'-P energy: -65.774 tors. eta vs tors. theta energy: 2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -637.824184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.824184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.824184 (E_RNA) where: Base-Base interactions energy: -299.772 where: short stacking energy: -155.700 Base-Backbone interact. energy: -3.717 local terms energy: -334.335224 where: bonds (distance) C4'-P energy: -121.977 bonds (distance) P-C4' energy: -125.456 flat angles C4'-P-C4' energy: -81.972 flat angles P-C4'-P energy: -45.608 tors. eta vs tors. theta energy: 40.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2634.602484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.602484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.602484 (E_RNA) where: Base-Base interactions energy: -1824.599 where: short stacking energy: -771.562 Base-Backbone interact. energy: -0.620 local terms energy: -809.383242 where: bonds (distance) C4'-P energy: -143.686 bonds (distance) P-C4' energy: -146.737 flat angles C4'-P-C4' energy: -161.756 flat angles P-C4'-P energy: -124.845 tors. eta vs tors. theta energy: -232.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2474.192875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.192875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.192875 (E_RNA) where: Base-Base interactions energy: -1653.728 where: short stacking energy: -742.238 Base-Backbone interact. energy: -3.400 local terms energy: -817.064322 where: bonds (distance) C4'-P energy: -146.506 bonds (distance) P-C4' energy: -153.585 flat angles C4'-P-C4' energy: -175.655 flat angles P-C4'-P energy: -116.895 tors. eta vs tors. theta energy: -224.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2301.590294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.590294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.590294 (E_RNA) where: Base-Base interactions energy: -1566.094 where: short stacking energy: -631.141 Base-Backbone interact. energy: -2.498 local terms energy: -732.997653 where: bonds (distance) C4'-P energy: -153.978 bonds (distance) P-C4' energy: -132.653 flat angles C4'-P-C4' energy: -159.565 flat angles P-C4'-P energy: -103.038 tors. eta vs tors. theta energy: -183.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2130.260527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.260527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.260527 (E_RNA) where: Base-Base interactions energy: -1437.985 where: short stacking energy: -608.314 Base-Backbone interact. energy: -5.574 local terms energy: -686.701273 where: bonds (distance) C4'-P energy: -133.323 bonds (distance) P-C4' energy: -146.078 flat angles C4'-P-C4' energy: -158.142 flat angles P-C4'-P energy: -95.222 tors. eta vs tors. theta energy: -153.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1947.344935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.344935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.344935 (E_RNA) where: Base-Base interactions energy: -1298.739 where: short stacking energy: -593.604 Base-Backbone interact. energy: -2.624 local terms energy: -645.982736 where: bonds (distance) C4'-P energy: -133.581 bonds (distance) P-C4' energy: -138.111 flat angles C4'-P-C4' energy: -141.282 flat angles P-C4'-P energy: -93.268 tors. eta vs tors. theta energy: -139.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1842.280115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.280115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.280115 (E_RNA) where: Base-Base interactions energy: -1244.537 where: short stacking energy: -536.473 Base-Backbone interact. energy: -2.326 local terms energy: -595.417384 where: bonds (distance) C4'-P energy: -127.049 bonds (distance) P-C4' energy: -123.876 flat angles C4'-P-C4' energy: -138.631 flat angles P-C4'-P energy: -82.896 tors. eta vs tors. theta energy: -122.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1598.208258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.208258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.208258 (E_RNA) where: Base-Base interactions energy: -1015.323 where: short stacking energy: -496.274 Base-Backbone interact. energy: 4.532 local terms energy: -587.417494 where: bonds (distance) C4'-P energy: -129.550 bonds (distance) P-C4' energy: -139.999 flat angles C4'-P-C4' energy: -119.444 flat angles P-C4'-P energy: -81.821 tors. eta vs tors. theta energy: -116.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1158.110781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.110781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.110781 (E_RNA) where: Base-Base interactions energy: -673.034 where: short stacking energy: -330.243 Base-Backbone interact. energy: -0.925 local terms energy: -484.151835 where: bonds (distance) C4'-P energy: -117.505 bonds (distance) P-C4' energy: -115.885 flat angles C4'-P-C4' energy: -131.116 flat angles P-C4'-P energy: -80.771 tors. eta vs tors. theta energy: -38.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -867.988216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.988216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.988216 (E_RNA) where: Base-Base interactions energy: -423.726 where: short stacking energy: -241.932 Base-Backbone interact. energy: -2.176 local terms energy: -442.086807 where: bonds (distance) C4'-P energy: -138.292 bonds (distance) P-C4' energy: -108.417 flat angles C4'-P-C4' energy: -100.410 flat angles P-C4'-P energy: -85.678 tors. eta vs tors. theta energy: -9.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -661.070749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.070749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.070749 (E_RNA) where: Base-Base interactions energy: -292.604 where: short stacking energy: -189.145 Base-Backbone interact. energy: -1.811 local terms energy: -366.655927 where: bonds (distance) C4'-P energy: -122.542 bonds (distance) P-C4' energy: -126.652 flat angles C4'-P-C4' energy: -102.391 flat angles P-C4'-P energy: -47.563 tors. eta vs tors. theta energy: 32.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2620.594276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.594276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.594276 (E_RNA) where: Base-Base interactions energy: -1820.571 where: short stacking energy: -763.687 Base-Backbone interact. energy: -2.315 local terms energy: -797.708198 where: bonds (distance) C4'-P energy: -158.950 bonds (distance) P-C4' energy: -148.335 flat angles C4'-P-C4' energy: -169.990 flat angles P-C4'-P energy: -101.805 tors. eta vs tors. theta energy: -218.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2485.926912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.926912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.926912 (E_RNA) where: Base-Base interactions energy: -1665.609 where: short stacking energy: -735.265 Base-Backbone interact. energy: -4.302 local terms energy: -816.015726 where: bonds (distance) C4'-P energy: -151.386 bonds (distance) P-C4' energy: -158.351 flat angles C4'-P-C4' energy: -173.455 flat angles P-C4'-P energy: -117.703 tors. eta vs tors. theta energy: -215.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2300.531440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.531440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.531440 (E_RNA) where: Base-Base interactions energy: -1610.155 where: short stacking energy: -642.514 Base-Backbone interact. energy: 2.625 local terms energy: -693.001531 where: bonds (distance) C4'-P energy: -119.784 bonds (distance) P-C4' energy: -136.976 flat angles C4'-P-C4' energy: -143.301 flat angles P-C4'-P energy: -120.663 tors. eta vs tors. theta energy: -172.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2135.892671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.892671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.892671 (E_RNA) where: Base-Base interactions energy: -1436.158 where: short stacking energy: -605.857 Base-Backbone interact. energy: 1.241 local terms energy: -700.975218 where: bonds (distance) C4'-P energy: -135.152 bonds (distance) P-C4' energy: -139.225 flat angles C4'-P-C4' energy: -151.680 flat angles P-C4'-P energy: -110.192 tors. eta vs tors. theta energy: -164.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1923.455683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.455683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.455683 (E_RNA) where: Base-Base interactions energy: -1284.088 where: short stacking energy: -552.334 Base-Backbone interact. energy: -3.722 local terms energy: -635.645309 where: bonds (distance) C4'-P energy: -146.994 bonds (distance) P-C4' energy: -132.665 flat angles C4'-P-C4' energy: -141.230 flat angles P-C4'-P energy: -87.984 tors. eta vs tors. theta energy: -126.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1870.265584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.265584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.265584 (E_RNA) where: Base-Base interactions energy: -1258.081 where: short stacking energy: -540.533 Base-Backbone interact. energy: -0.372 local terms energy: -611.812507 where: bonds (distance) C4'-P energy: -131.385 bonds (distance) P-C4' energy: -146.068 flat angles C4'-P-C4' energy: -149.711 flat angles P-C4'-P energy: -75.435 tors. eta vs tors. theta energy: -109.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1553.303116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.303116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.303116 (E_RNA) where: Base-Base interactions energy: -979.523 where: short stacking energy: -449.659 Base-Backbone interact. energy: -3.420 local terms energy: -570.359962 where: bonds (distance) C4'-P energy: -127.869 bonds (distance) P-C4' energy: -123.747 flat angles C4'-P-C4' energy: -139.184 flat angles P-C4'-P energy: -86.314 tors. eta vs tors. theta energy: -93.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1095.991447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.991447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.991447 (E_RNA) where: Base-Base interactions energy: -600.700 where: short stacking energy: -307.528 Base-Backbone interact. energy: -1.918 local terms energy: -493.373075 where: bonds (distance) C4'-P energy: -110.573 bonds (distance) P-C4' energy: -127.369 flat angles C4'-P-C4' energy: -120.658 flat angles P-C4'-P energy: -76.889 tors. eta vs tors. theta energy: -57.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -707.497410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.497410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.497410 (E_RNA) where: Base-Base interactions energy: -311.366 where: short stacking energy: -187.754 Base-Backbone interact. energy: 1.581 local terms energy: -397.712451 where: bonds (distance) C4'-P energy: -102.979 bonds (distance) P-C4' energy: -131.362 flat angles C4'-P-C4' energy: -133.037 flat angles P-C4'-P energy: -59.916 tors. eta vs tors. theta energy: 29.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -708.529841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.529841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.529841 (E_RNA) where: Base-Base interactions energy: -343.436 where: short stacking energy: -193.966 Base-Backbone interact. energy: 1.002 local terms energy: -366.095523 where: bonds (distance) C4'-P energy: -114.202 bonds (distance) P-C4' energy: -122.414 flat angles C4'-P-C4' energy: -85.000 flat angles P-C4'-P energy: -62.712 tors. eta vs tors. theta energy: 18.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2650.132852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.132852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.132852 (E_RNA) where: Base-Base interactions energy: -1808.898 where: short stacking energy: -771.232 Base-Backbone interact. energy: -2.318 local terms energy: -838.917148 where: bonds (distance) C4'-P energy: -156.217 bonds (distance) P-C4' energy: -145.572 flat angles C4'-P-C4' energy: -174.587 flat angles P-C4'-P energy: -124.790 tors. eta vs tors. theta energy: -237.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2454.023892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.023892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.023892 (E_RNA) where: Base-Base interactions energy: -1680.830 where: short stacking energy: -729.128 Base-Backbone interact. energy: -6.549 local terms energy: -766.644969 where: bonds (distance) C4'-P energy: -122.330 bonds (distance) P-C4' energy: -137.272 flat angles C4'-P-C4' energy: -180.624 flat angles P-C4'-P energy: -108.868 tors. eta vs tors. theta energy: -217.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2348.929281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.929281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.929281 (E_RNA) where: Base-Base interactions energy: -1631.986 where: short stacking energy: -667.549 Base-Backbone interact. energy: 4.342 local terms energy: -721.284942 where: bonds (distance) C4'-P energy: -135.546 bonds (distance) P-C4' energy: -137.019 flat angles C4'-P-C4' energy: -153.746 flat angles P-C4'-P energy: -107.652 tors. eta vs tors. theta energy: -187.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2107.113173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.113173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.113173 (E_RNA) where: Base-Base interactions energy: -1444.693 where: short stacking energy: -613.437 Base-Backbone interact. energy: 1.771 local terms energy: -664.190643 where: bonds (distance) C4'-P energy: -125.529 bonds (distance) P-C4' energy: -133.693 flat angles C4'-P-C4' energy: -144.856 flat angles P-C4'-P energy: -100.558 tors. eta vs tors. theta energy: -159.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1939.131590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.131590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.131590 (E_RNA) where: Base-Base interactions energy: -1279.063 where: short stacking energy: -569.654 Base-Backbone interact. energy: 1.720 local terms energy: -661.788829 where: bonds (distance) C4'-P energy: -137.091 bonds (distance) P-C4' energy: -133.690 flat angles C4'-P-C4' energy: -142.054 flat angles P-C4'-P energy: -96.328 tors. eta vs tors. theta energy: -152.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1814.915251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.915251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.915251 (E_RNA) where: Base-Base interactions energy: -1178.106 where: short stacking energy: -515.074 Base-Backbone interact. energy: -0.948 local terms energy: -635.861649 where: bonds (distance) C4'-P energy: -124.093 bonds (distance) P-C4' energy: -136.635 flat angles C4'-P-C4' energy: -158.594 flat angles P-C4'-P energy: -91.580 tors. eta vs tors. theta energy: -124.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1547.183217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.183217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.183217 (E_RNA) where: Base-Base interactions energy: -975.264 where: short stacking energy: -448.140 Base-Backbone interact. energy: -2.086 local terms energy: -569.832773 where: bonds (distance) C4'-P energy: -108.882 bonds (distance) P-C4' energy: -134.344 flat angles C4'-P-C4' energy: -136.832 flat angles P-C4'-P energy: -86.864 tors. eta vs tors. theta energy: -102.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1194.933629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.933629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.933629 (E_RNA) where: Base-Base interactions energy: -684.705 where: short stacking energy: -348.186 Base-Backbone interact. energy: -0.742 local terms energy: -509.485915 where: bonds (distance) C4'-P energy: -127.762 bonds (distance) P-C4' energy: -120.759 flat angles C4'-P-C4' energy: -119.201 flat angles P-C4'-P energy: -72.939 tors. eta vs tors. theta energy: -68.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -704.903494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.903494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.903494 (E_RNA) where: Base-Base interactions energy: -342.462 where: short stacking energy: -197.348 Base-Backbone interact. energy: 3.627 local terms energy: -366.068608 where: bonds (distance) C4'-P energy: -106.437 bonds (distance) P-C4' energy: -115.767 flat angles C4'-P-C4' energy: -108.136 flat angles P-C4'-P energy: -58.169 tors. eta vs tors. theta energy: 22.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -678.736795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.736795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.736795 (E_RNA) where: Base-Base interactions energy: -321.430 where: short stacking energy: -204.422 Base-Backbone interact. energy: 0.241 local terms energy: -357.548529 where: bonds (distance) C4'-P energy: -126.322 bonds (distance) P-C4' energy: -118.692 flat angles C4'-P-C4' energy: -104.913 flat angles P-C4'-P energy: -33.793 tors. eta vs tors. theta energy: 26.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2641.056480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.056480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.056480 (E_RNA) where: Base-Base interactions energy: -1839.099 where: short stacking energy: -779.721 Base-Backbone interact. energy: -0.341 local terms energy: -801.617272 where: bonds (distance) C4'-P energy: -149.535 bonds (distance) P-C4' energy: -144.841 flat angles C4'-P-C4' energy: -173.898 flat angles P-C4'-P energy: -113.809 tors. eta vs tors. theta energy: -219.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2445.217206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.217206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.217206 (E_RNA) where: Base-Base interactions energy: -1645.587 where: short stacking energy: -717.819 Base-Backbone interact. energy: -3.416 local terms energy: -796.214450 where: bonds (distance) C4'-P energy: -155.430 bonds (distance) P-C4' energy: -149.677 flat angles C4'-P-C4' energy: -169.868 flat angles P-C4'-P energy: -117.093 tors. eta vs tors. theta energy: -204.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2347.051895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.051895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.051895 (E_RNA) where: Base-Base interactions energy: -1620.006 where: short stacking energy: -647.793 Base-Backbone interact. energy: -0.863 local terms energy: -726.183449 where: bonds (distance) C4'-P energy: -129.865 bonds (distance) P-C4' energy: -146.677 flat angles C4'-P-C4' energy: -170.898 flat angles P-C4'-P energy: -99.225 tors. eta vs tors. theta energy: -179.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2105.501103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.501103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.501103 (E_RNA) where: Base-Base interactions energy: -1410.843 where: short stacking energy: -599.272 Base-Backbone interact. energy: 0.757 local terms energy: -695.414978 where: bonds (distance) C4'-P energy: -128.250 bonds (distance) P-C4' energy: -142.887 flat angles C4'-P-C4' energy: -159.399 flat angles P-C4'-P energy: -100.487 tors. eta vs tors. theta energy: -164.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1945.079631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.079631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.079631 (E_RNA) where: Base-Base interactions energy: -1299.255 where: short stacking energy: -585.925 Base-Backbone interact. energy: -2.904 local terms energy: -642.921227 where: bonds (distance) C4'-P energy: -122.550 bonds (distance) P-C4' energy: -122.860 flat angles C4'-P-C4' energy: -141.458 flat angles P-C4'-P energy: -93.074 tors. eta vs tors. theta energy: -162.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1841.497776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.497776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.497776 (E_RNA) where: Base-Base interactions energy: -1229.314 where: short stacking energy: -516.388 Base-Backbone interact. energy: -1.510 local terms energy: -610.674551 where: bonds (distance) C4'-P energy: -118.516 bonds (distance) P-C4' energy: -137.315 flat angles C4'-P-C4' energy: -141.617 flat angles P-C4'-P energy: -93.712 tors. eta vs tors. theta energy: -119.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1575.475506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.475506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.475506 (E_RNA) where: Base-Base interactions energy: -1032.889 where: short stacking energy: -443.757 Base-Backbone interact. energy: -2.279 local terms energy: -540.307674 where: bonds (distance) C4'-P energy: -113.068 bonds (distance) P-C4' energy: -128.449 flat angles C4'-P-C4' energy: -119.935 flat angles P-C4'-P energy: -86.374 tors. eta vs tors. theta energy: -92.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1156.139328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.139328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.139328 (E_RNA) where: Base-Base interactions energy: -657.575 where: short stacking energy: -348.755 Base-Backbone interact. energy: -0.997 local terms energy: -497.567024 where: bonds (distance) C4'-P energy: -131.225 bonds (distance) P-C4' energy: -124.018 flat angles C4'-P-C4' energy: -116.612 flat angles P-C4'-P energy: -72.484 tors. eta vs tors. theta energy: -53.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -810.017012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.017012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.017012 (E_RNA) where: Base-Base interactions energy: -380.246 where: short stacking energy: -233.020 Base-Backbone interact. energy: -2.721 local terms energy: -427.049451 where: bonds (distance) C4'-P energy: -105.011 bonds (distance) P-C4' energy: -143.400 flat angles C4'-P-C4' energy: -110.740 flat angles P-C4'-P energy: -59.792 tors. eta vs tors. theta energy: -8.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -659.084225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.084225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.084225 (E_RNA) where: Base-Base interactions energy: -278.885 where: short stacking energy: -177.700 Base-Backbone interact. energy: 0.909 local terms energy: -381.107755 where: bonds (distance) C4'-P energy: -109.911 bonds (distance) P-C4' energy: -125.976 flat angles C4'-P-C4' energy: -107.917 flat angles P-C4'-P energy: -64.846 tors. eta vs tors. theta energy: 27.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2578.186406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.186406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.186406 (E_RNA) where: Base-Base interactions energy: -1772.053 where: short stacking energy: -749.250 Base-Backbone interact. energy: -3.484 local terms energy: -802.648614 where: bonds (distance) C4'-P energy: -141.166 bonds (distance) P-C4' energy: -160.434 flat angles C4'-P-C4' energy: -163.224 flat angles P-C4'-P energy: -116.889 tors. eta vs tors. theta energy: -220.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2388.860390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.860390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.860390 (E_RNA) where: Base-Base interactions energy: -1618.056 where: short stacking energy: -704.972 Base-Backbone interact. energy: 1.993 local terms energy: -772.796991 where: bonds (distance) C4'-P energy: -154.878 bonds (distance) P-C4' energy: -143.987 flat angles C4'-P-C4' energy: -162.699 flat angles P-C4'-P energy: -111.441 tors. eta vs tors. theta energy: -199.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2373.139903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.139903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.139903 (E_RNA) where: Base-Base interactions energy: -1617.782 where: short stacking energy: -725.173 Base-Backbone interact. energy: -5.916 local terms energy: -749.441319 where: bonds (distance) C4'-P energy: -113.552 bonds (distance) P-C4' energy: -150.662 flat angles C4'-P-C4' energy: -164.149 flat angles P-C4'-P energy: -103.554 tors. eta vs tors. theta energy: -217.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2095.852341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.852341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.852341 (E_RNA) where: Base-Base interactions energy: -1432.191 where: short stacking energy: -596.011 Base-Backbone interact. energy: -3.541 local terms energy: -660.120386 where: bonds (distance) C4'-P energy: -141.321 bonds (distance) P-C4' energy: -128.693 flat angles C4'-P-C4' energy: -153.829 flat angles P-C4'-P energy: -68.499 tors. eta vs tors. theta energy: -167.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1917.188432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.188432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.188432 (E_RNA) where: Base-Base interactions energy: -1268.238 where: short stacking energy: -578.587 Base-Backbone interact. energy: -2.908 local terms energy: -646.041821 where: bonds (distance) C4'-P energy: -138.909 bonds (distance) P-C4' energy: -132.655 flat angles C4'-P-C4' energy: -145.144 flat angles P-C4'-P energy: -68.903 tors. eta vs tors. theta energy: -160.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1781.586068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.586068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.586068 (E_RNA) where: Base-Base interactions energy: -1187.035 where: short stacking energy: -537.287 Base-Backbone interact. energy: 2.925 local terms energy: -597.475927 where: bonds (distance) C4'-P energy: -106.642 bonds (distance) P-C4' energy: -144.597 flat angles C4'-P-C4' energy: -125.549 flat angles P-C4'-P energy: -85.112 tors. eta vs tors. theta energy: -135.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1533.298314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.298314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.298314 (E_RNA) where: Base-Base interactions energy: -992.303 where: short stacking energy: -427.961 Base-Backbone interact. energy: 0.993 local terms energy: -541.988609 where: bonds (distance) C4'-P energy: -128.869 bonds (distance) P-C4' energy: -130.444 flat angles C4'-P-C4' energy: -121.227 flat angles P-C4'-P energy: -81.311 tors. eta vs tors. theta energy: -80.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1157.130362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.130362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.130362 (E_RNA) where: Base-Base interactions energy: -687.645 where: short stacking energy: -325.018 Base-Backbone interact. energy: 0.650 local terms energy: -470.135307 where: bonds (distance) C4'-P energy: -101.051 bonds (distance) P-C4' energy: -126.385 flat angles C4'-P-C4' energy: -118.188 flat angles P-C4'-P energy: -68.611 tors. eta vs tors. theta energy: -55.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -709.705100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.705100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.705100 (E_RNA) where: Base-Base interactions energy: -304.615 where: short stacking energy: -203.142 Base-Backbone interact. energy: 1.503 local terms energy: -406.593834 where: bonds (distance) C4'-P energy: -127.379 bonds (distance) P-C4' energy: -131.522 flat angles C4'-P-C4' energy: -109.004 flat angles P-C4'-P energy: -39.530 tors. eta vs tors. theta energy: 0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -687.545019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.545019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.545019 (E_RNA) where: Base-Base interactions energy: -292.961 where: short stacking energy: -204.239 Base-Backbone interact. energy: 2.821 local terms energy: -397.404770 where: bonds (distance) C4'-P energy: -124.875 bonds (distance) P-C4' energy: -120.995 flat angles C4'-P-C4' energy: -109.835 flat angles P-C4'-P energy: -51.713 tors. eta vs tors. theta energy: 10.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2625.149946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.149946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.149946 (E_RNA) where: Base-Base interactions energy: -1808.302 where: short stacking energy: -787.535 Base-Backbone interact. energy: 0.154 local terms energy: -817.002363 where: bonds (distance) C4'-P energy: -150.414 bonds (distance) P-C4' energy: -154.262 flat angles C4'-P-C4' energy: -173.345 flat angles P-C4'-P energy: -107.085 tors. eta vs tors. theta energy: -231.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2383.774585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.774585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.774585 (E_RNA) where: Base-Base interactions energy: -1630.782 where: short stacking energy: -697.520 Base-Backbone interact. energy: 0.253 local terms energy: -753.245554 where: bonds (distance) C4'-P energy: -131.127 bonds (distance) P-C4' energy: -152.395 flat angles C4'-P-C4' energy: -166.227 flat angles P-C4'-P energy: -101.680 tors. eta vs tors. theta energy: -201.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2399.812604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.812604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.812604 (E_RNA) where: Base-Base interactions energy: -1672.863 where: short stacking energy: -733.057 Base-Backbone interact. energy: -1.807 local terms energy: -725.142607 where: bonds (distance) C4'-P energy: -131.925 bonds (distance) P-C4' energy: -132.001 flat angles C4'-P-C4' energy: -153.468 flat angles P-C4'-P energy: -101.522 tors. eta vs tors. theta energy: -206.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2122.632199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.632199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.632199 (E_RNA) where: Base-Base interactions energy: -1423.415 where: short stacking energy: -601.175 Base-Backbone interact. energy: -1.414 local terms energy: -697.803280 where: bonds (distance) C4'-P energy: -123.195 bonds (distance) P-C4' energy: -159.457 flat angles C4'-P-C4' energy: -158.539 flat angles P-C4'-P energy: -103.156 tors. eta vs tors. theta energy: -153.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1877.028934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.028934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.028934 (E_RNA) where: Base-Base interactions energy: -1226.024 where: short stacking energy: -510.546 Base-Backbone interact. energy: -4.368 local terms energy: -646.636657 where: bonds (distance) C4'-P energy: -122.173 bonds (distance) P-C4' energy: -144.464 flat angles C4'-P-C4' energy: -160.122 flat angles P-C4'-P energy: -93.473 tors. eta vs tors. theta energy: -126.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1845.004195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.004195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.004195 (E_RNA) where: Base-Base interactions energy: -1221.104 where: short stacking energy: -579.218 Base-Backbone interact. energy: -0.247 local terms energy: -623.653291 where: bonds (distance) C4'-P energy: -127.831 bonds (distance) P-C4' energy: -129.957 flat angles C4'-P-C4' energy: -140.154 flat angles P-C4'-P energy: -67.307 tors. eta vs tors. theta energy: -158.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1626.681908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.681908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.681908 (E_RNA) where: Base-Base interactions energy: -1028.186 where: short stacking energy: -460.344 Base-Backbone interact. energy: -2.318 local terms energy: -596.177587 where: bonds (distance) C4'-P energy: -121.781 bonds (distance) P-C4' energy: -153.226 flat angles C4'-P-C4' energy: -138.023 flat angles P-C4'-P energy: -81.798 tors. eta vs tors. theta energy: -101.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1158.068265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.068265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.068265 (E_RNA) where: Base-Base interactions energy: -676.196 where: short stacking energy: -337.342 Base-Backbone interact. energy: 0.724 local terms energy: -482.595634 where: bonds (distance) C4'-P energy: -117.446 bonds (distance) P-C4' energy: -146.009 flat angles C4'-P-C4' energy: -109.392 flat angles P-C4'-P energy: -79.122 tors. eta vs tors. theta energy: -30.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -776.561531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.561531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.561531 (E_RNA) where: Base-Base interactions energy: -372.925 where: short stacking energy: -248.690 Base-Backbone interact. energy: 0.511 local terms energy: -404.148155 where: bonds (distance) C4'-P energy: -120.504 bonds (distance) P-C4' energy: -123.443 flat angles C4'-P-C4' energy: -119.463 flat angles P-C4'-P energy: -43.323 tors. eta vs tors. theta energy: 2.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -649.309044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.309044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.309044 (E_RNA) where: Base-Base interactions energy: -259.430 where: short stacking energy: -171.704 Base-Backbone interact. energy: 2.154 local terms energy: -392.033245 where: bonds (distance) C4'-P energy: -136.120 bonds (distance) P-C4' energy: -115.999 flat angles C4'-P-C4' energy: -96.450 flat angles P-C4'-P energy: -68.012 tors. eta vs tors. theta energy: 24.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2606.522879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.522879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.522879 (E_RNA) where: Base-Base interactions energy: -1813.333 where: short stacking energy: -757.070 Base-Backbone interact. energy: -1.623 local terms energy: -791.566997 where: bonds (distance) C4'-P energy: -137.346 bonds (distance) P-C4' energy: -152.400 flat angles C4'-P-C4' energy: -160.288 flat angles P-C4'-P energy: -118.051 tors. eta vs tors. theta energy: -223.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2389.221211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.221211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.221211 (E_RNA) where: Base-Base interactions energy: -1643.423 where: short stacking energy: -709.083 Base-Backbone interact. energy: -2.123 local terms energy: -743.674789 where: bonds (distance) C4'-P energy: -126.921 bonds (distance) P-C4' energy: -153.722 flat angles C4'-P-C4' energy: -156.944 flat angles P-C4'-P energy: -108.803 tors. eta vs tors. theta energy: -197.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2409.758823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.758823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.758823 (E_RNA) where: Base-Base interactions energy: -1641.541 where: short stacking energy: -703.631 Base-Backbone interact. energy: -5.376 local terms energy: -762.842225 where: bonds (distance) C4'-P energy: -137.148 bonds (distance) P-C4' energy: -147.950 flat angles C4'-P-C4' energy: -158.602 flat angles P-C4'-P energy: -110.068 tors. eta vs tors. theta energy: -209.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2160.046528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.046528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.046528 (E_RNA) where: Base-Base interactions energy: -1443.738 where: short stacking energy: -613.272 Base-Backbone interact. energy: -3.998 local terms energy: -712.310801 where: bonds (distance) C4'-P energy: -137.166 bonds (distance) P-C4' energy: -150.838 flat angles C4'-P-C4' energy: -157.300 flat angles P-C4'-P energy: -101.608 tors. eta vs tors. theta energy: -165.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1828.306543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.306543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.306543 (E_RNA) where: Base-Base interactions energy: -1214.987 where: short stacking energy: -512.456 Base-Backbone interact. energy: -2.950 local terms energy: -610.369848 where: bonds (distance) C4'-P energy: -125.476 bonds (distance) P-C4' energy: -127.265 flat angles C4'-P-C4' energy: -142.708 flat angles P-C4'-P energy: -89.849 tors. eta vs tors. theta energy: -125.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1787.860870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.860870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.860870 (E_RNA) where: Base-Base interactions energy: -1177.316 where: short stacking energy: -535.065 Base-Backbone interact. energy: 3.328 local terms energy: -613.873171 where: bonds (distance) C4'-P energy: -118.953 bonds (distance) P-C4' energy: -118.422 flat angles C4'-P-C4' energy: -143.052 flat angles P-C4'-P energy: -91.126 tors. eta vs tors. theta energy: -142.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1581.168801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.168801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.168801 (E_RNA) where: Base-Base interactions energy: -1015.615 where: short stacking energy: -426.355 Base-Backbone interact. energy: 3.393 local terms energy: -568.946531 where: bonds (distance) C4'-P energy: -141.465 bonds (distance) P-C4' energy: -137.201 flat angles C4'-P-C4' energy: -111.105 flat angles P-C4'-P energy: -89.133 tors. eta vs tors. theta energy: -90.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1170.984898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.984898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.984898 (E_RNA) where: Base-Base interactions energy: -686.344 where: short stacking energy: -324.041 Base-Backbone interact. energy: 1.432 local terms energy: -486.072744 where: bonds (distance) C4'-P energy: -99.565 bonds (distance) P-C4' energy: -133.528 flat angles C4'-P-C4' energy: -135.455 flat angles P-C4'-P energy: -77.803 tors. eta vs tors. theta energy: -39.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -747.603504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.603504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.603504 (E_RNA) where: Base-Base interactions energy: -325.795 where: short stacking energy: -195.335 Base-Backbone interact. energy: -5.455 local terms energy: -416.353282 where: bonds (distance) C4'-P energy: -123.715 bonds (distance) P-C4' energy: -130.794 flat angles C4'-P-C4' energy: -117.261 flat angles P-C4'-P energy: -49.026 tors. eta vs tors. theta energy: 4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -666.621464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.621464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.621464 (E_RNA) where: Base-Base interactions energy: -260.466 where: short stacking energy: -173.995 Base-Backbone interact. energy: -4.149 local terms energy: -402.006090 where: bonds (distance) C4'-P energy: -103.352 bonds (distance) P-C4' energy: -143.828 flat angles C4'-P-C4' energy: -121.717 flat angles P-C4'-P energy: -60.383 tors. eta vs tors. theta energy: 27.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2619.775432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.775432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.775432 (E_RNA) where: Base-Base interactions energy: -1802.051 where: short stacking energy: -760.042 Base-Backbone interact. energy: -2.279 local terms energy: -815.444812 where: bonds (distance) C4'-P energy: -158.380 bonds (distance) P-C4' energy: -153.692 flat angles C4'-P-C4' energy: -169.826 flat angles P-C4'-P energy: -118.554 tors. eta vs tors. theta energy: -214.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2369.629862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.629862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.629862 (E_RNA) where: Base-Base interactions energy: -1619.877 where: short stacking energy: -669.700 Base-Backbone interact. energy: -1.291 local terms energy: -748.461777 where: bonds (distance) C4'-P energy: -139.323 bonds (distance) P-C4' energy: -135.635 flat angles C4'-P-C4' energy: -167.255 flat angles P-C4'-P energy: -120.145 tors. eta vs tors. theta energy: -186.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2409.806547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.806547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.806547 (E_RNA) where: Base-Base interactions energy: -1645.627 where: short stacking energy: -714.575 Base-Backbone interact. energy: -0.513 local terms energy: -763.666255 where: bonds (distance) C4'-P energy: -130.923 bonds (distance) P-C4' energy: -153.003 flat angles C4'-P-C4' energy: -172.150 flat angles P-C4'-P energy: -95.585 tors. eta vs tors. theta energy: -212.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2123.484286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.484286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.484286 (E_RNA) where: Base-Base interactions energy: -1448.586 where: short stacking energy: -602.511 Base-Backbone interact. energy: -3.205 local terms energy: -671.693938 where: bonds (distance) C4'-P energy: -134.689 bonds (distance) P-C4' energy: -117.646 flat angles C4'-P-C4' energy: -155.279 flat angles P-C4'-P energy: -114.876 tors. eta vs tors. theta energy: -149.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1945.667716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.667716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.667716 (E_RNA) where: Base-Base interactions energy: -1263.521 where: short stacking energy: -587.242 Base-Backbone interact. energy: 7.258 local terms energy: -689.404712 where: bonds (distance) C4'-P energy: -126.098 bonds (distance) P-C4' energy: -130.959 flat angles C4'-P-C4' energy: -164.547 flat angles P-C4'-P energy: -93.925 tors. eta vs tors. theta energy: -173.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1811.038645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.038645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.038645 (E_RNA) where: Base-Base interactions energy: -1199.844 where: short stacking energy: -511.981 Base-Backbone interact. energy: -1.310 local terms energy: -609.884575 where: bonds (distance) C4'-P energy: -128.935 bonds (distance) P-C4' energy: -124.364 flat angles C4'-P-C4' energy: -152.339 flat angles P-C4'-P energy: -81.328 tors. eta vs tors. theta energy: -122.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1645.301106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.301106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.301106 (E_RNA) where: Base-Base interactions energy: -1093.764 where: short stacking energy: -497.239 Base-Backbone interact. energy: -0.724 local terms energy: -550.813246 where: bonds (distance) C4'-P energy: -116.040 bonds (distance) P-C4' energy: -106.456 flat angles C4'-P-C4' energy: -128.440 flat angles P-C4'-P energy: -78.451 tors. eta vs tors. theta energy: -121.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1147.464687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.464687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.464687 (E_RNA) where: Base-Base interactions energy: -662.342 where: short stacking energy: -340.406 Base-Backbone interact. energy: -2.025 local terms energy: -483.098040 where: bonds (distance) C4'-P energy: -118.680 bonds (distance) P-C4' energy: -132.772 flat angles C4'-P-C4' energy: -123.763 flat angles P-C4'-P energy: -77.293 tors. eta vs tors. theta energy: -30.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -789.008369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.008369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.008369 (E_RNA) where: Base-Base interactions energy: -352.874 where: short stacking energy: -226.617 Base-Backbone interact. energy: 0.727 local terms energy: -436.861986 where: bonds (distance) C4'-P energy: -114.673 bonds (distance) P-C4' energy: -130.598 flat angles C4'-P-C4' energy: -115.268 flat angles P-C4'-P energy: -66.774 tors. eta vs tors. theta energy: -9.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -622.352365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.352365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.352365 (E_RNA) where: Base-Base interactions energy: -233.398 where: short stacking energy: -158.251 Base-Backbone interact. energy: -1.593 local terms energy: -387.360972 where: bonds (distance) C4'-P energy: -94.012 bonds (distance) P-C4' energy: -143.701 flat angles C4'-P-C4' energy: -101.182 flat angles P-C4'-P energy: -66.351 tors. eta vs tors. theta energy: 17.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2624.648043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.648043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.648043 (E_RNA) where: Base-Base interactions energy: -1834.781 where: short stacking energy: -771.724 Base-Backbone interact. energy: 0.916 local terms energy: -790.783800 where: bonds (distance) C4'-P energy: -136.639 bonds (distance) P-C4' energy: -164.125 flat angles C4'-P-C4' energy: -171.054 flat angles P-C4'-P energy: -102.158 tors. eta vs tors. theta energy: -216.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2385.816784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.816784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.816784 (E_RNA) where: Base-Base interactions energy: -1657.894 where: short stacking energy: -686.550 Base-Backbone interact. energy: 1.580 local terms energy: -729.501951 where: bonds (distance) C4'-P energy: -142.817 bonds (distance) P-C4' energy: -143.650 flat angles C4'-P-C4' energy: -158.378 flat angles P-C4'-P energy: -109.358 tors. eta vs tors. theta energy: -175.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2374.708865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.708865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.708865 (E_RNA) where: Base-Base interactions energy: -1633.952 where: short stacking energy: -724.442 Base-Backbone interact. energy: -2.584 local terms energy: -738.172920 where: bonds (distance) C4'-P energy: -132.329 bonds (distance) P-C4' energy: -150.843 flat angles C4'-P-C4' energy: -152.382 flat angles P-C4'-P energy: -91.238 tors. eta vs tors. theta energy: -211.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2181.023375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.023375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.023375 (E_RNA) where: Base-Base interactions energy: -1489.371 where: short stacking energy: -657.089 Base-Backbone interact. energy: 0.952 local terms energy: -692.604745 where: bonds (distance) C4'-P energy: -130.517 bonds (distance) P-C4' energy: -125.696 flat angles C4'-P-C4' energy: -160.140 flat angles P-C4'-P energy: -99.843 tors. eta vs tors. theta energy: -176.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1951.032652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.032652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.032652 (E_RNA) where: Base-Base interactions energy: -1286.772 where: short stacking energy: -601.989 Base-Backbone interact. energy: 0.796 local terms energy: -665.056660 where: bonds (distance) C4'-P energy: -123.849 bonds (distance) P-C4' energy: -118.888 flat angles C4'-P-C4' energy: -150.231 flat angles P-C4'-P energy: -109.926 tors. eta vs tors. theta energy: -162.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1782.504415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.504415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.504415 (E_RNA) where: Base-Base interactions energy: -1185.255 where: short stacking energy: -533.453 Base-Backbone interact. energy: -0.886 local terms energy: -596.363799 where: bonds (distance) C4'-P energy: -115.234 bonds (distance) P-C4' energy: -145.457 flat angles C4'-P-C4' energy: -127.423 flat angles P-C4'-P energy: -85.230 tors. eta vs tors. theta energy: -123.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1621.899643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.899643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.899643 (E_RNA) where: Base-Base interactions energy: -1064.602 where: short stacking energy: -467.969 Base-Backbone interact. energy: 0.992 local terms energy: -558.289777 where: bonds (distance) C4'-P energy: -113.985 bonds (distance) P-C4' energy: -129.690 flat angles C4'-P-C4' energy: -111.712 flat angles P-C4'-P energy: -103.066 tors. eta vs tors. theta energy: -99.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1188.803555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.803555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.803555 (E_RNA) where: Base-Base interactions energy: -677.751 where: short stacking energy: -332.709 Base-Backbone interact. energy: 3.667 local terms energy: -514.719494 where: bonds (distance) C4'-P energy: -138.574 bonds (distance) P-C4' energy: -147.830 flat angles C4'-P-C4' energy: -99.432 flat angles P-C4'-P energy: -71.070 tors. eta vs tors. theta energy: -57.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -769.670327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.670327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.670327 (E_RNA) where: Base-Base interactions energy: -333.014 where: short stacking energy: -219.073 Base-Backbone interact. energy: 4.424 local terms energy: -441.080452 where: bonds (distance) C4'-P energy: -129.551 bonds (distance) P-C4' energy: -118.273 flat angles C4'-P-C4' energy: -104.520 flat angles P-C4'-P energy: -74.668 tors. eta vs tors. theta energy: -14.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -689.946513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.946513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.946513 (E_RNA) where: Base-Base interactions energy: -302.751 where: short stacking energy: -197.109 Base-Backbone interact. energy: 1.834 local terms energy: -389.030241 where: bonds (distance) C4'-P energy: -99.640 bonds (distance) P-C4' energy: -130.067 flat angles C4'-P-C4' energy: -86.688 flat angles P-C4'-P energy: -60.298 tors. eta vs tors. theta energy: -12.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2626.342655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.342655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.342655 (E_RNA) where: Base-Base interactions energy: -1810.040 where: short stacking energy: -759.843 Base-Backbone interact. energy: -1.029 local terms energy: -815.273638 where: bonds (distance) C4'-P energy: -151.590 bonds (distance) P-C4' energy: -151.163 flat angles C4'-P-C4' energy: -178.319 flat angles P-C4'-P energy: -104.447 tors. eta vs tors. theta energy: -229.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2426.135345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.135345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.135345 (E_RNA) where: Base-Base interactions energy: -1676.136 where: short stacking energy: -708.820 Base-Backbone interact. energy: 1.795 local terms energy: -751.794733 where: bonds (distance) C4'-P energy: -142.586 bonds (distance) P-C4' energy: -156.546 flat angles C4'-P-C4' energy: -160.726 flat angles P-C4'-P energy: -100.067 tors. eta vs tors. theta energy: -191.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2403.795463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.795463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.795463 (E_RNA) where: Base-Base interactions energy: -1650.146 where: short stacking energy: -706.652 Base-Backbone interact. energy: -1.755 local terms energy: -751.894353 where: bonds (distance) C4'-P energy: -138.947 bonds (distance) P-C4' energy: -149.227 flat angles C4'-P-C4' energy: -171.086 flat angles P-C4'-P energy: -103.565 tors. eta vs tors. theta energy: -189.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2171.246904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.246904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.246904 (E_RNA) where: Base-Base interactions energy: -1489.418 where: short stacking energy: -644.478 Base-Backbone interact. energy: -0.386 local terms energy: -681.442361 where: bonds (distance) C4'-P energy: -134.139 bonds (distance) P-C4' energy: -131.162 flat angles C4'-P-C4' energy: -151.696 flat angles P-C4'-P energy: -94.030 tors. eta vs tors. theta energy: -170.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1900.049568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.049568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.049568 (E_RNA) where: Base-Base interactions energy: -1241.999 where: short stacking energy: -564.199 Base-Backbone interact. energy: -0.680 local terms energy: -657.370556 where: bonds (distance) C4'-P energy: -121.892 bonds (distance) P-C4' energy: -137.904 flat angles C4'-P-C4' energy: -147.845 flat angles P-C4'-P energy: -93.698 tors. eta vs tors. theta energy: -156.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1753.057444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.057444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.057444 (E_RNA) where: Base-Base interactions energy: -1150.469 where: short stacking energy: -495.333 Base-Backbone interact. energy: 1.612 local terms energy: -604.200433 where: bonds (distance) C4'-P energy: -127.345 bonds (distance) P-C4' energy: -136.122 flat angles C4'-P-C4' energy: -131.531 flat angles P-C4'-P energy: -96.773 tors. eta vs tors. theta energy: -112.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1625.545010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.545010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.545010 (E_RNA) where: Base-Base interactions energy: -1049.096 where: short stacking energy: -450.609 Base-Backbone interact. energy: -3.887 local terms energy: -572.561945 where: bonds (distance) C4'-P energy: -134.206 bonds (distance) P-C4' energy: -119.060 flat angles C4'-P-C4' energy: -139.074 flat angles P-C4'-P energy: -70.919 tors. eta vs tors. theta energy: -109.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1146.289589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.289589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.289589 (E_RNA) where: Base-Base interactions energy: -678.190 where: short stacking energy: -344.118 Base-Backbone interact. energy: -2.311 local terms energy: -465.788774 where: bonds (distance) C4'-P energy: -115.882 bonds (distance) P-C4' energy: -138.881 flat angles C4'-P-C4' energy: -106.524 flat angles P-C4'-P energy: -65.732 tors. eta vs tors. theta energy: -38.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -824.447151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.447151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.447151 (E_RNA) where: Base-Base interactions energy: -407.918 where: short stacking energy: -238.853 Base-Backbone interact. energy: 3.645 local terms energy: -420.174541 where: bonds (distance) C4'-P energy: -129.006 bonds (distance) P-C4' energy: -125.047 flat angles C4'-P-C4' energy: -106.463 flat angles P-C4'-P energy: -60.012 tors. eta vs tors. theta energy: 0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -731.821578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.821578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.821578 (E_RNA) where: Base-Base interactions energy: -361.923 where: short stacking energy: -198.146 Base-Backbone interact. energy: 3.564 local terms energy: -373.462713 where: bonds (distance) C4'-P energy: -122.706 bonds (distance) P-C4' energy: -121.493 flat angles C4'-P-C4' energy: -80.748 flat angles P-C4'-P energy: -68.791 tors. eta vs tors. theta energy: 20.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2607.200378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.200378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.200378 (E_RNA) where: Base-Base interactions energy: -1836.225 where: short stacking energy: -757.701 Base-Backbone interact. energy: 1.252 local terms energy: -772.227011 where: bonds (distance) C4'-P energy: -137.562 bonds (distance) P-C4' energy: -147.596 flat angles C4'-P-C4' energy: -170.542 flat angles P-C4'-P energy: -93.303 tors. eta vs tors. theta energy: -223.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2433.620924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.620924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.620924 (E_RNA) where: Base-Base interactions energy: -1675.656 where: short stacking energy: -719.925 Base-Backbone interact. energy: 6.213 local terms energy: -764.177342 where: bonds (distance) C4'-P energy: -145.771 bonds (distance) P-C4' energy: -156.787 flat angles C4'-P-C4' energy: -158.789 flat angles P-C4'-P energy: -104.482 tors. eta vs tors. theta energy: -198.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2372.523478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.523478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.523478 (E_RNA) where: Base-Base interactions energy: -1622.043 where: short stacking energy: -687.260 Base-Backbone interact. energy: -1.959 local terms energy: -748.521360 where: bonds (distance) C4'-P energy: -138.099 bonds (distance) P-C4' energy: -159.635 flat angles C4'-P-C4' energy: -157.059 flat angles P-C4'-P energy: -102.353 tors. eta vs tors. theta energy: -191.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2110.242788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.242788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.242788 (E_RNA) where: Base-Base interactions energy: -1452.601 where: short stacking energy: -626.916 Base-Backbone interact. energy: -0.526 local terms energy: -657.116001 where: bonds (distance) C4'-P energy: -141.676 bonds (distance) P-C4' energy: -127.503 flat angles C4'-P-C4' energy: -139.991 flat angles P-C4'-P energy: -87.735 tors. eta vs tors. theta energy: -160.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1915.341046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.341046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.341046 (E_RNA) where: Base-Base interactions energy: -1252.717 where: short stacking energy: -567.848 Base-Backbone interact. energy: -0.590 local terms energy: -662.033944 where: bonds (distance) C4'-P energy: -132.920 bonds (distance) P-C4' energy: -140.347 flat angles C4'-P-C4' energy: -136.667 flat angles P-C4'-P energy: -93.585 tors. eta vs tors. theta energy: -158.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1720.953766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.953766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.953766 (E_RNA) where: Base-Base interactions energy: -1099.574 where: short stacking energy: -471.905 Base-Backbone interact. energy: 3.392 local terms energy: -624.771587 where: bonds (distance) C4'-P energy: -137.474 bonds (distance) P-C4' energy: -136.470 flat angles C4'-P-C4' energy: -154.286 flat angles P-C4'-P energy: -90.287 tors. eta vs tors. theta energy: -106.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1682.096332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.096332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.096332 (E_RNA) where: Base-Base interactions energy: -1109.724 where: short stacking energy: -478.314 Base-Backbone interact. energy: 1.729 local terms energy: -574.101538 where: bonds (distance) C4'-P energy: -110.168 bonds (distance) P-C4' energy: -131.538 flat angles C4'-P-C4' energy: -125.358 flat angles P-C4'-P energy: -90.424 tors. eta vs tors. theta energy: -116.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1169.992339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.992339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.992339 (E_RNA) where: Base-Base interactions energy: -668.810 where: short stacking energy: -336.204 Base-Backbone interact. energy: 1.722 local terms energy: -502.904511 where: bonds (distance) C4'-P energy: -133.526 bonds (distance) P-C4' energy: -121.987 flat angles C4'-P-C4' energy: -117.416 flat angles P-C4'-P energy: -77.529 tors. eta vs tors. theta energy: -52.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -797.955346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.955346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.955346 (E_RNA) where: Base-Base interactions energy: -400.032 where: short stacking energy: -257.382 Base-Backbone interact. energy: 1.696 local terms energy: -399.619105 where: bonds (distance) C4'-P energy: -121.819 bonds (distance) P-C4' energy: -111.630 flat angles C4'-P-C4' energy: -84.266 flat angles P-C4'-P energy: -64.354 tors. eta vs tors. theta energy: -17.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -824.256158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.256158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.256158 (E_RNA) where: Base-Base interactions energy: -391.359 where: short stacking energy: -212.077 Base-Backbone interact. energy: -4.626 local terms energy: -428.271454 where: bonds (distance) C4'-P energy: -114.973 bonds (distance) P-C4' energy: -127.456 flat angles C4'-P-C4' energy: -123.455 flat angles P-C4'-P energy: -58.198 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2608.708576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.708576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.708576 (E_RNA) where: Base-Base interactions energy: -1814.481 where: short stacking energy: -760.147 Base-Backbone interact. energy: -3.181 local terms energy: -791.046679 where: bonds (distance) C4'-P energy: -156.777 bonds (distance) P-C4' energy: -145.089 flat angles C4'-P-C4' energy: -167.348 flat angles P-C4'-P energy: -105.903 tors. eta vs tors. theta energy: -215.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2419.342028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.342028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.342028 (E_RNA) where: Base-Base interactions energy: -1645.665 where: short stacking energy: -675.948 Base-Backbone interact. energy: -6.355 local terms energy: -767.322044 where: bonds (distance) C4'-P energy: -135.790 bonds (distance) P-C4' energy: -166.591 flat angles C4'-P-C4' energy: -175.041 flat angles P-C4'-P energy: -106.074 tors. eta vs tors. theta energy: -183.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2367.788034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.788034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.788034 (E_RNA) where: Base-Base interactions energy: -1624.197 where: short stacking energy: -719.434 Base-Backbone interact. energy: -4.187 local terms energy: -739.404183 where: bonds (distance) C4'-P energy: -130.680 bonds (distance) P-C4' energy: -141.542 flat angles C4'-P-C4' energy: -163.119 flat angles P-C4'-P energy: -99.623 tors. eta vs tors. theta energy: -204.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2136.590073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.590073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.590073 (E_RNA) where: Base-Base interactions energy: -1443.817 where: short stacking energy: -604.177 Base-Backbone interact. energy: -2.464 local terms energy: -690.309530 where: bonds (distance) C4'-P energy: -125.113 bonds (distance) P-C4' energy: -139.274 flat angles C4'-P-C4' energy: -148.353 flat angles P-C4'-P energy: -116.495 tors. eta vs tors. theta energy: -161.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1959.838951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.838951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.838951 (E_RNA) where: Base-Base interactions energy: -1309.888 where: short stacking energy: -574.567 Base-Backbone interact. energy: -2.337 local terms energy: -647.613556 where: bonds (distance) C4'-P energy: -115.155 bonds (distance) P-C4' energy: -117.615 flat angles C4'-P-C4' energy: -159.726 flat angles P-C4'-P energy: -96.513 tors. eta vs tors. theta energy: -158.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1798.934224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.934224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.934224 (E_RNA) where: Base-Base interactions energy: -1180.748 where: short stacking energy: -537.285 Base-Backbone interact. energy: -3.399 local terms energy: -614.787350 where: bonds (distance) C4'-P energy: -120.200 bonds (distance) P-C4' energy: -118.850 flat angles C4'-P-C4' energy: -148.380 flat angles P-C4'-P energy: -97.428 tors. eta vs tors. theta energy: -129.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1657.971342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.971342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.971342 (E_RNA) where: Base-Base interactions energy: -1095.939 where: short stacking energy: -466.250 Base-Backbone interact. energy: 1.473 local terms energy: -563.505112 where: bonds (distance) C4'-P energy: -111.281 bonds (distance) P-C4' energy: -136.497 flat angles C4'-P-C4' energy: -140.427 flat angles P-C4'-P energy: -78.368 tors. eta vs tors. theta energy: -96.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1236.926255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.926255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.926255 (E_RNA) where: Base-Base interactions energy: -688.246 where: short stacking energy: -331.165 Base-Backbone interact. energy: -1.200 local terms energy: -547.481006 where: bonds (distance) C4'-P energy: -138.033 bonds (distance) P-C4' energy: -129.874 flat angles C4'-P-C4' energy: -131.396 flat angles P-C4'-P energy: -88.024 tors. eta vs tors. theta energy: -60.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -802.004444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.004444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.004444 (E_RNA) where: Base-Base interactions energy: -335.467 where: short stacking energy: -201.403 Base-Backbone interact. energy: 6.981 local terms energy: -473.518410 where: bonds (distance) C4'-P energy: -125.272 bonds (distance) P-C4' energy: -153.614 flat angles C4'-P-C4' energy: -125.195 flat angles P-C4'-P energy: -69.782 tors. eta vs tors. theta energy: 0.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -766.916904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.916904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.916904 (E_RNA) where: Base-Base interactions energy: -373.661 where: short stacking energy: -229.174 Base-Backbone interact. energy: 2.945 local terms energy: -396.201785 where: bonds (distance) C4'-P energy: -99.313 bonds (distance) P-C4' energy: -128.918 flat angles C4'-P-C4' energy: -105.869 flat angles P-C4'-P energy: -58.451 tors. eta vs tors. theta energy: -3.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2578.766467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.766467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.766467 (E_RNA) where: Base-Base interactions energy: -1766.965 where: short stacking energy: -779.274 Base-Backbone interact. energy: -1.002 local terms energy: -810.799690 where: bonds (distance) C4'-P energy: -152.104 bonds (distance) P-C4' energy: -152.511 flat angles C4'-P-C4' energy: -172.344 flat angles P-C4'-P energy: -112.492 tors. eta vs tors. theta energy: -221.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2395.433478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.433478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.433478 (E_RNA) where: Base-Base interactions energy: -1646.716 where: short stacking energy: -716.738 Base-Backbone interact. energy: -3.113 local terms energy: -745.604522 where: bonds (distance) C4'-P energy: -131.501 bonds (distance) P-C4' energy: -152.116 flat angles C4'-P-C4' energy: -163.084 flat angles P-C4'-P energy: -99.739 tors. eta vs tors. theta energy: -199.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2373.890969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.890969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.890969 (E_RNA) where: Base-Base interactions energy: -1614.999 where: short stacking energy: -707.388 Base-Backbone interact. energy: 5.224 local terms energy: -764.116628 where: bonds (distance) C4'-P energy: -140.685 bonds (distance) P-C4' energy: -143.534 flat angles C4'-P-C4' energy: -159.476 flat angles P-C4'-P energy: -112.106 tors. eta vs tors. theta energy: -208.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2139.128795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.128795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.128795 (E_RNA) where: Base-Base interactions energy: -1434.772 where: short stacking energy: -626.544 Base-Backbone interact. energy: -4.043 local terms energy: -700.314016 where: bonds (distance) C4'-P energy: -135.248 bonds (distance) P-C4' energy: -140.880 flat angles C4'-P-C4' energy: -163.094 flat angles P-C4'-P energy: -106.591 tors. eta vs tors. theta energy: -154.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1933.182780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.182780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.182780 (E_RNA) where: Base-Base interactions energy: -1299.345 where: short stacking energy: -565.082 Base-Backbone interact. energy: 4.423 local terms energy: -638.261470 where: bonds (distance) C4'-P energy: -122.321 bonds (distance) P-C4' energy: -144.261 flat angles C4'-P-C4' energy: -138.574 flat angles P-C4'-P energy: -84.190 tors. eta vs tors. theta energy: -148.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1759.559877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.559877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.559877 (E_RNA) where: Base-Base interactions energy: -1146.005 where: short stacking energy: -499.043 Base-Backbone interact. energy: 0.521 local terms energy: -614.075224 where: bonds (distance) C4'-P energy: -126.000 bonds (distance) P-C4' energy: -126.815 flat angles C4'-P-C4' energy: -143.525 flat angles P-C4'-P energy: -88.939 tors. eta vs tors. theta energy: -128.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1593.995492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.995492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.995492 (E_RNA) where: Base-Base interactions energy: -1074.198 where: short stacking energy: -449.263 Base-Backbone interact. energy: 1.608 local terms energy: -521.405571 where: bonds (distance) C4'-P energy: -113.258 bonds (distance) P-C4' energy: -123.988 flat angles C4'-P-C4' energy: -122.513 flat angles P-C4'-P energy: -77.530 tors. eta vs tors. theta energy: -84.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1152.696193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.696193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.696193 (E_RNA) where: Base-Base interactions energy: -672.081 where: short stacking energy: -320.855 Base-Backbone interact. energy: -1.224 local terms energy: -479.391596 where: bonds (distance) C4'-P energy: -129.162 bonds (distance) P-C4' energy: -114.753 flat angles C4'-P-C4' energy: -119.716 flat angles P-C4'-P energy: -67.881 tors. eta vs tors. theta energy: -47.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -832.668011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.668011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.668011 (E_RNA) where: Base-Base interactions energy: -381.852 where: short stacking energy: -230.935 Base-Backbone interact. energy: 1.344 local terms energy: -452.159790 where: bonds (distance) C4'-P energy: -122.391 bonds (distance) P-C4' energy: -142.900 flat angles C4'-P-C4' energy: -120.605 flat angles P-C4'-P energy: -69.115 tors. eta vs tors. theta energy: 2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -818.842612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.842612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.842612 (E_RNA) where: Base-Base interactions energy: -439.709 where: short stacking energy: -229.548 Base-Backbone interact. energy: 0.128 local terms energy: -379.261703 where: bonds (distance) C4'-P energy: -109.937 bonds (distance) P-C4' energy: -120.956 flat angles C4'-P-C4' energy: -108.264 flat angles P-C4'-P energy: -56.132 tors. eta vs tors. theta energy: 16.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2565.096843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.096843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.096843 (E_RNA) where: Base-Base interactions energy: -1778.644 where: short stacking energy: -765.209 Base-Backbone interact. energy: -0.335 local terms energy: -786.117217 where: bonds (distance) C4'-P energy: -146.950 bonds (distance) P-C4' energy: -144.717 flat angles C4'-P-C4' energy: -176.591 flat angles P-C4'-P energy: -106.568 tors. eta vs tors. theta energy: -211.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2394.339758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.339758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.339758 (E_RNA) where: Base-Base interactions energy: -1652.760 where: short stacking energy: -684.947 Base-Backbone interact. energy: -1.345 local terms energy: -740.234688 where: bonds (distance) C4'-P energy: -140.893 bonds (distance) P-C4' energy: -148.007 flat angles C4'-P-C4' energy: -153.260 flat angles P-C4'-P energy: -101.280 tors. eta vs tors. theta energy: -196.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2348.862740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.862740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.862740 (E_RNA) where: Base-Base interactions energy: -1589.055 where: short stacking energy: -695.971 Base-Backbone interact. energy: -0.358 local terms energy: -759.450400 where: bonds (distance) C4'-P energy: -138.288 bonds (distance) P-C4' energy: -140.961 flat angles C4'-P-C4' energy: -166.530 flat angles P-C4'-P energy: -112.804 tors. eta vs tors. theta energy: -200.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2140.940604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.940604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.940604 (E_RNA) where: Base-Base interactions energy: -1411.752 where: short stacking energy: -636.208 Base-Backbone interact. energy: 4.161 local terms energy: -733.349310 where: bonds (distance) C4'-P energy: -139.289 bonds (distance) P-C4' energy: -136.471 flat angles C4'-P-C4' energy: -174.047 flat angles P-C4'-P energy: -106.752 tors. eta vs tors. theta energy: -176.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1897.010689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.010689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.010689 (E_RNA) where: Base-Base interactions energy: -1265.371 where: short stacking energy: -555.846 Base-Backbone interact. energy: -1.694 local terms energy: -629.945046 where: bonds (distance) C4'-P energy: -126.009 bonds (distance) P-C4' energy: -130.846 flat angles C4'-P-C4' energy: -140.816 flat angles P-C4'-P energy: -95.441 tors. eta vs tors. theta energy: -136.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1806.103022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.103022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.103022 (E_RNA) where: Base-Base interactions energy: -1192.896 where: short stacking energy: -522.962 Base-Backbone interact. energy: -1.033 local terms energy: -612.173737 where: bonds (distance) C4'-P energy: -140.317 bonds (distance) P-C4' energy: -132.261 flat angles C4'-P-C4' energy: -144.811 flat angles P-C4'-P energy: -68.735 tors. eta vs tors. theta energy: -126.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1662.473571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.473571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.473571 (E_RNA) where: Base-Base interactions energy: -1092.770 where: short stacking energy: -464.124 Base-Backbone interact. energy: -4.398 local terms energy: -565.306383 where: bonds (distance) C4'-P energy: -122.667 bonds (distance) P-C4' energy: -109.798 flat angles C4'-P-C4' energy: -137.994 flat angles P-C4'-P energy: -98.657 tors. eta vs tors. theta energy: -96.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1240.472695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.472695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.472695 (E_RNA) where: Base-Base interactions energy: -730.389 where: short stacking energy: -356.453 Base-Backbone interact. energy: 1.708 local terms energy: -511.791639 where: bonds (distance) C4'-P energy: -131.389 bonds (distance) P-C4' energy: -122.054 flat angles C4'-P-C4' energy: -129.598 flat angles P-C4'-P energy: -71.536 tors. eta vs tors. theta energy: -57.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -748.607535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.607535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.607535 (E_RNA) where: Base-Base interactions energy: -344.631 where: short stacking energy: -227.194 Base-Backbone interact. energy: -0.336 local terms energy: -403.640669 where: bonds (distance) C4'-P energy: -126.651 bonds (distance) P-C4' energy: -130.765 flat angles C4'-P-C4' energy: -93.694 flat angles P-C4'-P energy: -65.263 tors. eta vs tors. theta energy: 12.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -805.710899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.710899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.710899 (E_RNA) where: Base-Base interactions energy: -382.722 where: short stacking energy: -198.868 Base-Backbone interact. energy: 4.851 local terms energy: -427.840482 where: bonds (distance) C4'-P energy: -126.253 bonds (distance) P-C4' energy: -122.603 flat angles C4'-P-C4' energy: -100.494 flat angles P-C4'-P energy: -68.120 tors. eta vs tors. theta energy: -10.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2591.417009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.417009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.417009 (E_RNA) where: Base-Base interactions energy: -1788.909 where: short stacking energy: -770.409 Base-Backbone interact. energy: -1.483 local terms energy: -801.025475 where: bonds (distance) C4'-P energy: -149.069 bonds (distance) P-C4' energy: -147.093 flat angles C4'-P-C4' energy: -183.047 flat angles P-C4'-P energy: -106.081 tors. eta vs tors. theta energy: -215.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2381.935233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.935233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.935233 (E_RNA) where: Base-Base interactions energy: -1660.710 where: short stacking energy: -693.246 Base-Backbone interact. energy: 0.401 local terms energy: -721.625597 where: bonds (distance) C4'-P energy: -126.455 bonds (distance) P-C4' energy: -147.467 flat angles C4'-P-C4' energy: -161.031 flat angles P-C4'-P energy: -95.334 tors. eta vs tors. theta energy: -191.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2376.325910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.325910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.325910 (E_RNA) where: Base-Base interactions energy: -1642.678 where: short stacking energy: -711.542 Base-Backbone interact. energy: -3.299 local terms energy: -730.349708 where: bonds (distance) C4'-P energy: -128.984 bonds (distance) P-C4' energy: -146.028 flat angles C4'-P-C4' energy: -167.413 flat angles P-C4'-P energy: -96.832 tors. eta vs tors. theta energy: -191.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2131.591008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.591008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.591008 (E_RNA) where: Base-Base interactions energy: -1435.788 where: short stacking energy: -607.640 Base-Backbone interact. energy: -0.147 local terms energy: -695.655791 where: bonds (distance) C4'-P energy: -122.846 bonds (distance) P-C4' energy: -143.960 flat angles C4'-P-C4' energy: -166.211 flat angles P-C4'-P energy: -105.791 tors. eta vs tors. theta energy: -156.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1968.404225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.404225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.404225 (E_RNA) where: Base-Base interactions energy: -1331.729 where: short stacking energy: -584.908 Base-Backbone interact. energy: -1.702 local terms energy: -634.973105 where: bonds (distance) C4'-P energy: -122.705 bonds (distance) P-C4' energy: -119.438 flat angles C4'-P-C4' energy: -136.846 flat angles P-C4'-P energy: -98.368 tors. eta vs tors. theta energy: -157.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1809.287743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.287743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.287743 (E_RNA) where: Base-Base interactions energy: -1203.502 where: short stacking energy: -534.334 Base-Backbone interact. energy: -0.560 local terms energy: -605.225566 where: bonds (distance) C4'-P energy: -130.465 bonds (distance) P-C4' energy: -113.805 flat angles C4'-P-C4' energy: -151.581 flat angles P-C4'-P energy: -77.685 tors. eta vs tors. theta energy: -131.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1719.397365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.397365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.397365 (E_RNA) where: Base-Base interactions energy: -1108.143 where: short stacking energy: -471.166 Base-Backbone interact. energy: 1.130 local terms energy: -612.384559 where: bonds (distance) C4'-P energy: -147.423 bonds (distance) P-C4' energy: -154.210 flat angles C4'-P-C4' energy: -132.521 flat angles P-C4'-P energy: -79.294 tors. eta vs tors. theta energy: -98.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1345.080186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.080186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.080186 (E_RNA) where: Base-Base interactions energy: -854.732 where: short stacking energy: -398.820 Base-Backbone interact. energy: 5.701 local terms energy: -496.049034 where: bonds (distance) C4'-P energy: -115.492 bonds (distance) P-C4' energy: -122.752 flat angles C4'-P-C4' energy: -102.368 flat angles P-C4'-P energy: -78.867 tors. eta vs tors. theta energy: -76.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -826.925700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.925700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.925700 (E_RNA) where: Base-Base interactions energy: -401.698 where: short stacking energy: -268.521 Base-Backbone interact. energy: -0.354 local terms energy: -424.873407 where: bonds (distance) C4'-P energy: -114.399 bonds (distance) P-C4' energy: -132.747 flat angles C4'-P-C4' energy: -90.032 flat angles P-C4'-P energy: -72.225 tors. eta vs tors. theta energy: -15.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -810.570393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.570393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.570393 (E_RNA) where: Base-Base interactions energy: -390.132 where: short stacking energy: -208.707 Base-Backbone interact. energy: 1.371 local terms energy: -421.810125 where: bonds (distance) C4'-P energy: -115.998 bonds (distance) P-C4' energy: -120.278 flat angles C4'-P-C4' energy: -127.840 flat angles P-C4'-P energy: -65.956 tors. eta vs tors. theta energy: 8.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2594.022475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.022475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.022475 (E_RNA) where: Base-Base interactions energy: -1791.444 where: short stacking energy: -772.730 Base-Backbone interact. energy: -3.956 local terms energy: -798.622242 where: bonds (distance) C4'-P energy: -154.176 bonds (distance) P-C4' energy: -141.687 flat angles C4'-P-C4' energy: -168.184 flat angles P-C4'-P energy: -117.606 tors. eta vs tors. theta energy: -216.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2421.553781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.553781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.553781 (E_RNA) where: Base-Base interactions energy: -1646.260 where: short stacking energy: -703.891 Base-Backbone interact. energy: -1.690 local terms energy: -773.603471 where: bonds (distance) C4'-P energy: -149.372 bonds (distance) P-C4' energy: -156.222 flat angles C4'-P-C4' energy: -169.497 flat angles P-C4'-P energy: -97.576 tors. eta vs tors. theta energy: -200.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2398.490482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.490482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.490482 (E_RNA) where: Base-Base interactions energy: -1658.781 where: short stacking energy: -728.028 Base-Backbone interact. energy: -5.157 local terms energy: -734.552922 where: bonds (distance) C4'-P energy: -123.697 bonds (distance) P-C4' energy: -144.520 flat angles C4'-P-C4' energy: -150.844 flat angles P-C4'-P energy: -98.225 tors. eta vs tors. theta energy: -217.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2107.128612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.128612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.128612 (E_RNA) where: Base-Base interactions energy: -1403.778 where: short stacking energy: -615.215 Base-Backbone interact. energy: 1.788 local terms energy: -705.138020 where: bonds (distance) C4'-P energy: -139.718 bonds (distance) P-C4' energy: -137.802 flat angles C4'-P-C4' energy: -161.862 flat angles P-C4'-P energy: -104.043 tors. eta vs tors. theta energy: -161.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1894.497881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.497881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.497881 (E_RNA) where: Base-Base interactions energy: -1270.862 where: short stacking energy: -543.485 Base-Backbone interact. energy: 0.449 local terms energy: -624.084861 where: bonds (distance) C4'-P energy: -135.099 bonds (distance) P-C4' energy: -136.435 flat angles C4'-P-C4' energy: -146.899 flat angles P-C4'-P energy: -65.206 tors. eta vs tors. theta energy: -140.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1808.781315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.781315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.781315 (E_RNA) where: Base-Base interactions energy: -1184.861 where: short stacking energy: -519.178 Base-Backbone interact. energy: -3.486 local terms energy: -620.435092 where: bonds (distance) C4'-P energy: -147.248 bonds (distance) P-C4' energy: -125.333 flat angles C4'-P-C4' energy: -133.992 flat angles P-C4'-P energy: -87.619 tors. eta vs tors. theta energy: -126.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1667.940917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.940917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.940917 (E_RNA) where: Base-Base interactions energy: -1095.629 where: short stacking energy: -493.688 Base-Backbone interact. energy: -4.734 local terms energy: -567.577021 where: bonds (distance) C4'-P energy: -130.112 bonds (distance) P-C4' energy: -116.795 flat angles C4'-P-C4' energy: -130.572 flat angles P-C4'-P energy: -81.732 tors. eta vs tors. theta energy: -108.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1345.150093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.150093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.150093 (E_RNA) where: Base-Base interactions energy: -836.940 where: short stacking energy: -380.203 Base-Backbone interact. energy: -2.927 local terms energy: -505.283236 where: bonds (distance) C4'-P energy: -104.441 bonds (distance) P-C4' energy: -116.973 flat angles C4'-P-C4' energy: -117.431 flat angles P-C4'-P energy: -84.870 tors. eta vs tors. theta energy: -81.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -868.641398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.641398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.641398 (E_RNA) where: Base-Base interactions energy: -456.922 where: short stacking energy: -264.296 Base-Backbone interact. energy: 1.435 local terms energy: -413.154570 where: bonds (distance) C4'-P energy: -114.550 bonds (distance) P-C4' energy: -124.615 flat angles C4'-P-C4' energy: -94.845 flat angles P-C4'-P energy: -65.031 tors. eta vs tors. theta energy: -14.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -687.678730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.678730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.678730 (E_RNA) where: Base-Base interactions energy: -289.238 where: short stacking energy: -191.404 Base-Backbone interact. energy: 0.480 local terms energy: -398.920629 where: bonds (distance) C4'-P energy: -124.783 bonds (distance) P-C4' energy: -121.542 flat angles C4'-P-C4' energy: -109.044 flat angles P-C4'-P energy: -45.389 tors. eta vs tors. theta energy: 1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2590.202628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.202628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.202628 (E_RNA) where: Base-Base interactions energy: -1781.650 where: short stacking energy: -769.514 Base-Backbone interact. energy: 2.036 local terms energy: -810.589332 where: bonds (distance) C4'-P energy: -160.375 bonds (distance) P-C4' energy: -143.224 flat angles C4'-P-C4' energy: -172.327 flat angles P-C4'-P energy: -109.961 tors. eta vs tors. theta energy: -224.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2427.953878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.953878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.953878 (E_RNA) where: Base-Base interactions energy: -1663.290 where: short stacking energy: -672.698 Base-Backbone interact. energy: -0.842 local terms energy: -763.822550 where: bonds (distance) C4'-P energy: -131.212 bonds (distance) P-C4' energy: -153.308 flat angles C4'-P-C4' energy: -167.749 flat angles P-C4'-P energy: -115.666 tors. eta vs tors. theta energy: -195.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2379.447437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.447437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.447437 (E_RNA) where: Base-Base interactions energy: -1628.969 where: short stacking energy: -694.937 Base-Backbone interact. energy: -2.272 local terms energy: -748.206836 where: bonds (distance) C4'-P energy: -151.109 bonds (distance) P-C4' energy: -138.361 flat angles C4'-P-C4' energy: -159.192 flat angles P-C4'-P energy: -93.880 tors. eta vs tors. theta energy: -205.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2127.155176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.155176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.155176 (E_RNA) where: Base-Base interactions energy: -1441.106 where: short stacking energy: -614.347 Base-Backbone interact. energy: 1.313 local terms energy: -687.362424 where: bonds (distance) C4'-P energy: -129.898 bonds (distance) P-C4' energy: -145.210 flat angles C4'-P-C4' energy: -144.479 flat angles P-C4'-P energy: -98.729 tors. eta vs tors. theta energy: -169.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1984.058387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.058387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.058387 (E_RNA) where: Base-Base interactions energy: -1297.123 where: short stacking energy: -583.004 Base-Backbone interact. energy: 0.509 local terms energy: -687.444660 where: bonds (distance) C4'-P energy: -135.665 bonds (distance) P-C4' energy: -129.498 flat angles C4'-P-C4' energy: -164.077 flat angles P-C4'-P energy: -98.472 tors. eta vs tors. theta energy: -159.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1817.694256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.694256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.694256 (E_RNA) where: Base-Base interactions energy: -1193.737 where: short stacking energy: -527.132 Base-Backbone interact. energy: 6.703 local terms energy: -634.347775 where: bonds (distance) C4'-P energy: -130.367 bonds (distance) P-C4' energy: -122.954 flat angles C4'-P-C4' energy: -148.923 flat angles P-C4'-P energy: -92.812 tors. eta vs tors. theta energy: -139.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.687 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1645.885292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.885292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.885292 (E_RNA) where: Base-Base interactions energy: -1069.199 where: short stacking energy: -457.782 Base-Backbone interact. energy: -3.100 local terms energy: -573.586471 where: bonds (distance) C4'-P energy: -121.538 bonds (distance) P-C4' energy: -131.405 flat angles C4'-P-C4' energy: -126.186 flat angles P-C4'-P energy: -77.877 tors. eta vs tors. theta energy: -116.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1309.963084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.963084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.963084 (E_RNA) where: Base-Base interactions energy: -797.166 where: short stacking energy: -377.867 Base-Backbone interact. energy: 3.998 local terms energy: -516.795105 where: bonds (distance) C4'-P energy: -109.955 bonds (distance) P-C4' energy: -124.359 flat angles C4'-P-C4' energy: -126.311 flat angles P-C4'-P energy: -95.055 tors. eta vs tors. theta energy: -61.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -938.330066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.330066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.330066 (E_RNA) where: Base-Base interactions energy: -519.816 where: short stacking energy: -260.535 Base-Backbone interact. energy: 5.861 local terms energy: -424.375249 where: bonds (distance) C4'-P energy: -125.167 bonds (distance) P-C4' energy: -132.123 flat angles C4'-P-C4' energy: -90.045 flat angles P-C4'-P energy: -60.094 tors. eta vs tors. theta energy: -16.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -666.034943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.034943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.034943 (E_RNA) where: Base-Base interactions energy: -274.447 where: short stacking energy: -163.819 Base-Backbone interact. energy: 1.377 local terms energy: -392.964225 where: bonds (distance) C4'-P energy: -114.151 bonds (distance) P-C4' energy: -122.331 flat angles C4'-P-C4' energy: -110.822 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: 17.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2584.753456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.753456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.753456 (E_RNA) where: Base-Base interactions energy: -1761.948 where: short stacking energy: -733.454 Base-Backbone interact. energy: -0.151 local terms energy: -822.654722 where: bonds (distance) C4'-P energy: -161.316 bonds (distance) P-C4' energy: -139.759 flat angles C4'-P-C4' energy: -160.116 flat angles P-C4'-P energy: -134.331 tors. eta vs tors. theta energy: -227.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2411.731762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.731762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.731762 (E_RNA) where: Base-Base interactions energy: -1670.360 where: short stacking energy: -712.512 Base-Backbone interact. energy: -1.167 local terms energy: -740.204305 where: bonds (distance) C4'-P energy: -134.945 bonds (distance) P-C4' energy: -139.627 flat angles C4'-P-C4' energy: -156.154 flat angles P-C4'-P energy: -104.498 tors. eta vs tors. theta energy: -204.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2421.402767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.402767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.402767 (E_RNA) where: Base-Base interactions energy: -1663.428 where: short stacking energy: -722.947 Base-Backbone interact. energy: -7.796 local terms energy: -750.178032 where: bonds (distance) C4'-P energy: -127.771 bonds (distance) P-C4' energy: -124.864 flat angles C4'-P-C4' energy: -165.189 flat angles P-C4'-P energy: -109.656 tors. eta vs tors. theta energy: -222.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2121.384881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.384881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.384881 (E_RNA) where: Base-Base interactions energy: -1418.685 where: short stacking energy: -598.146 Base-Backbone interact. energy: -2.531 local terms energy: -700.168965 where: bonds (distance) C4'-P energy: -132.882 bonds (distance) P-C4' energy: -141.040 flat angles C4'-P-C4' energy: -156.303 flat angles P-C4'-P energy: -97.263 tors. eta vs tors. theta energy: -172.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1983.346325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.346325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.346325 (E_RNA) where: Base-Base interactions energy: -1318.708 where: short stacking energy: -610.484 Base-Backbone interact. energy: -3.046 local terms energy: -661.592802 where: bonds (distance) C4'-P energy: -111.842 bonds (distance) P-C4' energy: -137.562 flat angles C4'-P-C4' energy: -157.207 flat angles P-C4'-P energy: -98.956 tors. eta vs tors. theta energy: -156.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1915.039001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.039001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.039001 (E_RNA) where: Base-Base interactions energy: -1274.869 where: short stacking energy: -520.234 Base-Backbone interact. energy: -1.297 local terms energy: -638.873311 where: bonds (distance) C4'-P energy: -143.636 bonds (distance) P-C4' energy: -121.267 flat angles C4'-P-C4' energy: -144.231 flat angles P-C4'-P energy: -87.494 tors. eta vs tors. theta energy: -142.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1638.594886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.594886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.594886 (E_RNA) where: Base-Base interactions energy: -1068.166 where: short stacking energy: -488.475 Base-Backbone interact. energy: -0.405 local terms energy: -570.024774 where: bonds (distance) C4'-P energy: -113.402 bonds (distance) P-C4' energy: -115.073 flat angles C4'-P-C4' energy: -144.413 flat angles P-C4'-P energy: -79.269 tors. eta vs tors. theta energy: -117.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1371.307041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.307041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.307041 (E_RNA) where: Base-Base interactions energy: -829.443 where: short stacking energy: -395.875 Base-Backbone interact. energy: -0.474 local terms energy: -541.389973 where: bonds (distance) C4'-P energy: -121.851 bonds (distance) P-C4' energy: -144.766 flat angles C4'-P-C4' energy: -118.620 flat angles P-C4'-P energy: -76.248 tors. eta vs tors. theta energy: -79.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -942.699671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.699671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.699671 (E_RNA) where: Base-Base interactions energy: -504.874 where: short stacking energy: -248.831 Base-Backbone interact. energy: 6.057 local terms energy: -443.882396 where: bonds (distance) C4'-P energy: -105.808 bonds (distance) P-C4' energy: -135.244 flat angles C4'-P-C4' energy: -109.641 flat angles P-C4'-P energy: -79.353 tors. eta vs tors. theta energy: -13.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -731.623141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.623141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.623141 (E_RNA) where: Base-Base interactions energy: -358.972 where: short stacking energy: -209.631 Base-Backbone interact. energy: -1.972 local terms energy: -370.679369 where: bonds (distance) C4'-P energy: -121.829 bonds (distance) P-C4' energy: -139.925 flat angles C4'-P-C4' energy: -79.832 flat angles P-C4'-P energy: -38.202 tors. eta vs tors. theta energy: 9.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2629.332451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.332451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.332451 (E_RNA) where: Base-Base interactions energy: -1809.548 where: short stacking energy: -767.197 Base-Backbone interact. energy: -2.212 local terms energy: -817.572386 where: bonds (distance) C4'-P energy: -143.281 bonds (distance) P-C4' energy: -163.475 flat angles C4'-P-C4' energy: -168.846 flat angles P-C4'-P energy: -111.574 tors. eta vs tors. theta energy: -230.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2432.224675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.224675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.224675 (E_RNA) where: Base-Base interactions energy: -1674.344 where: short stacking energy: -710.481 Base-Backbone interact. energy: -4.181 local terms energy: -753.699860 where: bonds (distance) C4'-P energy: -146.029 bonds (distance) P-C4' energy: -142.367 flat angles C4'-P-C4' energy: -164.170 flat angles P-C4'-P energy: -100.112 tors. eta vs tors. theta energy: -201.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2412.900070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.900070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.900070 (E_RNA) where: Base-Base interactions energy: -1653.539 where: short stacking energy: -729.193 Base-Backbone interact. energy: -3.871 local terms energy: -755.490316 where: bonds (distance) C4'-P energy: -141.272 bonds (distance) P-C4' energy: -141.868 flat angles C4'-P-C4' energy: -165.381 flat angles P-C4'-P energy: -98.020 tors. eta vs tors. theta energy: -208.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2127.891722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.891722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.891722 (E_RNA) where: Base-Base interactions energy: -1442.548 where: short stacking energy: -603.208 Base-Backbone interact. energy: -1.320 local terms energy: -684.024117 where: bonds (distance) C4'-P energy: -127.877 bonds (distance) P-C4' energy: -143.227 flat angles C4'-P-C4' energy: -155.518 flat angles P-C4'-P energy: -99.119 tors. eta vs tors. theta energy: -158.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2014.741810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.741810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.741810 (E_RNA) where: Base-Base interactions energy: -1353.841 where: short stacking energy: -619.956 Base-Backbone interact. energy: 4.066 local terms energy: -664.966969 where: bonds (distance) C4'-P energy: -125.080 bonds (distance) P-C4' energy: -132.387 flat angles C4'-P-C4' energy: -137.003 flat angles P-C4'-P energy: -105.806 tors. eta vs tors. theta energy: -164.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1921.898174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.898174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.898174 (E_RNA) where: Base-Base interactions energy: -1299.878 where: short stacking energy: -556.461 Base-Backbone interact. energy: 2.598 local terms energy: -624.618346 where: bonds (distance) C4'-P energy: -139.616 bonds (distance) P-C4' energy: -133.100 flat angles C4'-P-C4' energy: -150.166 flat angles P-C4'-P energy: -79.152 tors. eta vs tors. theta energy: -122.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1603.887370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.887370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.887370 (E_RNA) where: Base-Base interactions energy: -1057.137 where: short stacking energy: -472.332 Base-Backbone interact. energy: -2.545 local terms energy: -544.204750 where: bonds (distance) C4'-P energy: -108.985 bonds (distance) P-C4' energy: -127.044 flat angles C4'-P-C4' energy: -123.102 flat angles P-C4'-P energy: -92.418 tors. eta vs tors. theta energy: -92.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1378.125047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.125047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.125047 (E_RNA) where: Base-Base interactions energy: -827.592 where: short stacking energy: -384.307 Base-Backbone interact. energy: -2.039 local terms energy: -548.494676 where: bonds (distance) C4'-P energy: -134.710 bonds (distance) P-C4' energy: -133.766 flat angles C4'-P-C4' energy: -118.991 flat angles P-C4'-P energy: -77.025 tors. eta vs tors. theta energy: -84.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -968.977995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.977995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.977995 (E_RNA) where: Base-Base interactions energy: -518.620 where: short stacking energy: -275.481 Base-Backbone interact. energy: -1.905 local terms energy: -448.452280 where: bonds (distance) C4'-P energy: -114.977 bonds (distance) P-C4' energy: -124.317 flat angles C4'-P-C4' energy: -117.893 flat angles P-C4'-P energy: -68.637 tors. eta vs tors. theta energy: -22.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -768.609117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.609117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.609117 (E_RNA) where: Base-Base interactions energy: -380.706 where: short stacking energy: -244.129 Base-Backbone interact. energy: -0.478 local terms energy: -387.425386 where: bonds (distance) C4'-P energy: -132.199 bonds (distance) P-C4' energy: -118.375 flat angles C4'-P-C4' energy: -90.224 flat angles P-C4'-P energy: -41.518 tors. eta vs tors. theta energy: -5.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2591.107226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.107226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.107226 (E_RNA) where: Base-Base interactions energy: -1790.442 where: short stacking energy: -774.493 Base-Backbone interact. energy: -0.868 local terms energy: -799.797414 where: bonds (distance) C4'-P energy: -143.925 bonds (distance) P-C4' energy: -156.505 flat angles C4'-P-C4' energy: -172.328 flat angles P-C4'-P energy: -106.123 tors. eta vs tors. theta energy: -220.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2452.040053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.040053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.040053 (E_RNA) where: Base-Base interactions energy: -1715.875 where: short stacking energy: -722.408 Base-Backbone interact. energy: -0.043 local terms energy: -736.121747 where: bonds (distance) C4'-P energy: -135.149 bonds (distance) P-C4' energy: -141.792 flat angles C4'-P-C4' energy: -161.301 flat angles P-C4'-P energy: -101.201 tors. eta vs tors. theta energy: -196.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2390.079389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.079389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.079389 (E_RNA) where: Base-Base interactions energy: -1662.065 where: short stacking energy: -703.466 Base-Backbone interact. energy: -2.193 local terms energy: -725.821983 where: bonds (distance) C4'-P energy: -125.139 bonds (distance) P-C4' energy: -145.403 flat angles C4'-P-C4' energy: -154.300 flat angles P-C4'-P energy: -97.508 tors. eta vs tors. theta energy: -203.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2173.354465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.354465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.354465 (E_RNA) where: Base-Base interactions energy: -1465.655 where: short stacking energy: -633.221 Base-Backbone interact. energy: 1.718 local terms energy: -709.417883 where: bonds (distance) C4'-P energy: -127.952 bonds (distance) P-C4' energy: -157.344 flat angles C4'-P-C4' energy: -163.655 flat angles P-C4'-P energy: -91.854 tors. eta vs tors. theta energy: -168.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2005.606898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.606898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.606898 (E_RNA) where: Base-Base interactions energy: -1348.852 where: short stacking energy: -570.598 Base-Backbone interact. energy: -1.466 local terms energy: -655.288984 where: bonds (distance) C4'-P energy: -118.085 bonds (distance) P-C4' energy: -148.756 flat angles C4'-P-C4' energy: -158.042 flat angles P-C4'-P energy: -87.091 tors. eta vs tors. theta energy: -143.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1969.620320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.620320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.620320 (E_RNA) where: Base-Base interactions energy: -1349.068 where: short stacking energy: -553.465 Base-Backbone interact. energy: 1.947 local terms energy: -622.498821 where: bonds (distance) C4'-P energy: -119.725 bonds (distance) P-C4' energy: -118.411 flat angles C4'-P-C4' energy: -154.904 flat angles P-C4'-P energy: -86.048 tors. eta vs tors. theta energy: -143.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1669.418774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.418774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.418774 (E_RNA) where: Base-Base interactions energy: -1076.282 where: short stacking energy: -462.794 Base-Backbone interact. energy: -1.029 local terms energy: -592.107298 where: bonds (distance) C4'-P energy: -121.536 bonds (distance) P-C4' energy: -143.319 flat angles C4'-P-C4' energy: -134.833 flat angles P-C4'-P energy: -74.586 tors. eta vs tors. theta energy: -117.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1342.421979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.421979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.421979 (E_RNA) where: Base-Base interactions energy: -823.147 where: short stacking energy: -395.584 Base-Backbone interact. energy: 0.004 local terms energy: -519.278483 where: bonds (distance) C4'-P energy: -106.393 bonds (distance) P-C4' energy: -122.329 flat angles C4'-P-C4' energy: -139.078 flat angles P-C4'-P energy: -82.599 tors. eta vs tors. theta energy: -68.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -941.826688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.826688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.826688 (E_RNA) where: Base-Base interactions energy: -498.312 where: short stacking energy: -287.210 Base-Backbone interact. energy: -1.225 local terms energy: -442.289385 where: bonds (distance) C4'-P energy: -117.598 bonds (distance) P-C4' energy: -136.897 flat angles C4'-P-C4' energy: -114.091 flat angles P-C4'-P energy: -51.691 tors. eta vs tors. theta energy: -22.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -691.633198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.633198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.633198 (E_RNA) where: Base-Base interactions energy: -314.774 where: short stacking energy: -207.527 Base-Backbone interact. energy: 12.816 local terms energy: -389.674677 where: bonds (distance) C4'-P energy: -120.885 bonds (distance) P-C4' energy: -119.045 flat angles C4'-P-C4' energy: -110.611 flat angles P-C4'-P energy: -52.713 tors. eta vs tors. theta energy: 13.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2620.633295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.633295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.633295 (E_RNA) where: Base-Base interactions energy: -1804.911 where: short stacking energy: -771.079 Base-Backbone interact. energy: -2.736 local terms energy: -812.987006 where: bonds (distance) C4'-P energy: -133.028 bonds (distance) P-C4' energy: -149.116 flat angles C4'-P-C4' energy: -181.387 flat angles P-C4'-P energy: -111.208 tors. eta vs tors. theta energy: -238.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2416.438972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.438972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.438972 (E_RNA) where: Base-Base interactions energy: -1698.012 where: short stacking energy: -683.305 Base-Backbone interact. energy: 6.126 local terms energy: -724.552826 where: bonds (distance) C4'-P energy: -137.300 bonds (distance) P-C4' energy: -141.746 flat angles C4'-P-C4' energy: -157.550 flat angles P-C4'-P energy: -96.512 tors. eta vs tors. theta energy: -191.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2336.082237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.082237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.082237 (E_RNA) where: Base-Base interactions energy: -1575.766 where: short stacking energy: -682.485 Base-Backbone interact. energy: -2.359 local terms energy: -757.957437 where: bonds (distance) C4'-P energy: -142.666 bonds (distance) P-C4' energy: -141.026 flat angles C4'-P-C4' energy: -164.315 flat angles P-C4'-P energy: -108.889 tors. eta vs tors. theta energy: -201.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2142.343387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.343387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.343387 (E_RNA) where: Base-Base interactions energy: -1455.790 where: short stacking energy: -632.318 Base-Backbone interact. energy: 0.146 local terms energy: -686.700090 where: bonds (distance) C4'-P energy: -131.978 bonds (distance) P-C4' energy: -145.889 flat angles C4'-P-C4' energy: -157.802 flat angles P-C4'-P energy: -78.379 tors. eta vs tors. theta energy: -172.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2021.779462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.779462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.779462 (E_RNA) where: Base-Base interactions energy: -1347.458 where: short stacking energy: -617.783 Base-Backbone interact. energy: -0.801 local terms energy: -673.520263 where: bonds (distance) C4'-P energy: -126.604 bonds (distance) P-C4' energy: -132.368 flat angles C4'-P-C4' energy: -156.774 flat angles P-C4'-P energy: -93.818 tors. eta vs tors. theta energy: -163.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1955.115067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.115067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.115067 (E_RNA) where: Base-Base interactions energy: -1320.719 where: short stacking energy: -542.317 Base-Backbone interact. energy: -0.831 local terms energy: -633.565983 where: bonds (distance) C4'-P energy: -114.925 bonds (distance) P-C4' energy: -139.355 flat angles C4'-P-C4' energy: -149.960 flat angles P-C4'-P energy: -87.295 tors. eta vs tors. theta energy: -142.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1690.500981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.500981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.500981 (E_RNA) where: Base-Base interactions energy: -1120.629 where: short stacking energy: -487.802 Base-Backbone interact. energy: -4.981 local terms energy: -564.891641 where: bonds (distance) C4'-P energy: -122.320 bonds (distance) P-C4' energy: -119.265 flat angles C4'-P-C4' energy: -136.103 flat angles P-C4'-P energy: -80.155 tors. eta vs tors. theta energy: -107.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1353.048123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.048123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.048123 (E_RNA) where: Base-Base interactions energy: -861.935 where: short stacking energy: -410.352 Base-Backbone interact. energy: -2.132 local terms energy: -488.980779 where: bonds (distance) C4'-P energy: -123.515 bonds (distance) P-C4' energy: -119.867 flat angles C4'-P-C4' energy: -117.896 flat angles P-C4'-P energy: -58.413 tors. eta vs tors. theta energy: -69.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -911.083776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.083776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.083776 (E_RNA) where: Base-Base interactions energy: -490.317 where: short stacking energy: -261.342 Base-Backbone interact. energy: 0.591 local terms energy: -421.357347 where: bonds (distance) C4'-P energy: -111.112 bonds (distance) P-C4' energy: -119.932 flat angles C4'-P-C4' energy: -113.691 flat angles P-C4'-P energy: -61.118 tors. eta vs tors. theta energy: -15.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -695.226108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.226108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.226108 (E_RNA) where: Base-Base interactions energy: -309.451 where: short stacking energy: -191.108 Base-Backbone interact. energy: 2.051 local terms energy: -387.826137 where: bonds (distance) C4'-P energy: -121.760 bonds (distance) P-C4' energy: -132.643 flat angles C4'-P-C4' energy: -94.221 flat angles P-C4'-P energy: -45.449 tors. eta vs tors. theta energy: 6.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2614.959501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.959501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.959501 (E_RNA) where: Base-Base interactions energy: -1795.060 where: short stacking energy: -773.065 Base-Backbone interact. energy: -3.058 local terms energy: -816.841553 where: bonds (distance) C4'-P energy: -150.463 bonds (distance) P-C4' energy: -156.060 flat angles C4'-P-C4' energy: -170.705 flat angles P-C4'-P energy: -103.732 tors. eta vs tors. theta energy: -235.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2442.815400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.815400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.815400 (E_RNA) where: Base-Base interactions energy: -1695.839 where: short stacking energy: -708.996 Base-Backbone interact. energy: 0.320 local terms energy: -747.296888 where: bonds (distance) C4'-P energy: -130.212 bonds (distance) P-C4' energy: -160.172 flat angles C4'-P-C4' energy: -169.439 flat angles P-C4'-P energy: -99.899 tors. eta vs tors. theta energy: -187.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2397.793224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.793224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.793224 (E_RNA) where: Base-Base interactions energy: -1636.416 where: short stacking energy: -697.822 Base-Backbone interact. energy: -3.904 local terms energy: -757.473750 where: bonds (distance) C4'-P energy: -150.145 bonds (distance) P-C4' energy: -139.267 flat angles C4'-P-C4' energy: -158.811 flat angles P-C4'-P energy: -95.695 tors. eta vs tors. theta energy: -213.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2176.681029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.681029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.681029 (E_RNA) where: Base-Base interactions energy: -1495.109 where: short stacking energy: -619.974 Base-Backbone interact. energy: -0.546 local terms energy: -681.026116 where: bonds (distance) C4'-P energy: -123.010 bonds (distance) P-C4' energy: -137.055 flat angles C4'-P-C4' energy: -161.620 flat angles P-C4'-P energy: -97.472 tors. eta vs tors. theta energy: -161.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2039.107735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.107735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.107735 (E_RNA) where: Base-Base interactions energy: -1326.866 where: short stacking energy: -553.121 Base-Backbone interact. energy: -0.715 local terms energy: -711.526654 where: bonds (distance) C4'-P energy: -146.803 bonds (distance) P-C4' energy: -154.884 flat angles C4'-P-C4' energy: -160.239 flat angles P-C4'-P energy: -93.322 tors. eta vs tors. theta energy: -156.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1940.332656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.332656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.332656 (E_RNA) where: Base-Base interactions energy: -1307.608 where: short stacking energy: -551.938 Base-Backbone interact. energy: -0.159 local terms energy: -632.565366 where: bonds (distance) C4'-P energy: -124.267 bonds (distance) P-C4' energy: -139.307 flat angles C4'-P-C4' energy: -147.205 flat angles P-C4'-P energy: -81.746 tors. eta vs tors. theta energy: -140.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1766.054791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.054791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.054791 (E_RNA) where: Base-Base interactions energy: -1173.560 where: short stacking energy: -507.012 Base-Backbone interact. energy: -1.508 local terms energy: -590.986499 where: bonds (distance) C4'-P energy: -101.395 bonds (distance) P-C4' energy: -137.717 flat angles C4'-P-C4' energy: -137.964 flat angles P-C4'-P energy: -78.135 tors. eta vs tors. theta energy: -135.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1381.050976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.050976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.050976 (E_RNA) where: Base-Base interactions energy: -838.950 where: short stacking energy: -397.541 Base-Backbone interact. energy: -0.623 local terms energy: -541.478876 where: bonds (distance) C4'-P energy: -125.640 bonds (distance) P-C4' energy: -135.863 flat angles C4'-P-C4' energy: -129.622 flat angles P-C4'-P energy: -72.656 tors. eta vs tors. theta energy: -77.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -895.699075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.699075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.699075 (E_RNA) where: Base-Base interactions energy: -440.208 where: short stacking energy: -228.977 Base-Backbone interact. energy: -0.052 local terms energy: -455.438513 where: bonds (distance) C4'-P energy: -125.244 bonds (distance) P-C4' energy: -120.119 flat angles C4'-P-C4' energy: -123.784 flat angles P-C4'-P energy: -70.412 tors. eta vs tors. theta energy: -15.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -683.837564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.837564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.837564 (E_RNA) where: Base-Base interactions energy: -296.302 where: short stacking energy: -207.063 Base-Backbone interact. energy: -1.765 local terms energy: -385.770758 where: bonds (distance) C4'-P energy: -105.429 bonds (distance) P-C4' energy: -131.327 flat angles C4'-P-C4' energy: -94.871 flat angles P-C4'-P energy: -65.619 tors. eta vs tors. theta energy: 11.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2600.630934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.630934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.630934 (E_RNA) where: Base-Base interactions energy: -1774.161 where: short stacking energy: -755.531 Base-Backbone interact. energy: -1.096 local terms energy: -825.373662 where: bonds (distance) C4'-P energy: -154.479 bonds (distance) P-C4' energy: -170.523 flat angles C4'-P-C4' energy: -173.469 flat angles P-C4'-P energy: -107.046 tors. eta vs tors. theta energy: -219.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2470.946951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.946951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.946951 (E_RNA) where: Base-Base interactions energy: -1686.940 where: short stacking energy: -725.496 Base-Backbone interact. energy: -0.245 local terms energy: -783.761576 where: bonds (distance) C4'-P energy: -140.102 bonds (distance) P-C4' energy: -142.454 flat angles C4'-P-C4' energy: -185.991 flat angles P-C4'-P energy: -104.531 tors. eta vs tors. theta energy: -210.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2332.321827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.321827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.321827 (E_RNA) where: Base-Base interactions energy: -1629.775 where: short stacking energy: -673.575 Base-Backbone interact. energy: -1.586 local terms energy: -700.960962 where: bonds (distance) C4'-P energy: -140.712 bonds (distance) P-C4' energy: -127.369 flat angles C4'-P-C4' energy: -154.181 flat angles P-C4'-P energy: -100.766 tors. eta vs tors. theta energy: -177.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2196.603196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.603196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.603196 (E_RNA) where: Base-Base interactions energy: -1475.466 where: short stacking energy: -645.677 Base-Backbone interact. energy: -2.625 local terms energy: -718.512261 where: bonds (distance) C4'-P energy: -137.781 bonds (distance) P-C4' energy: -141.146 flat angles C4'-P-C4' energy: -157.668 flat angles P-C4'-P energy: -96.459 tors. eta vs tors. theta energy: -185.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2069.459479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.459479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.459479 (E_RNA) where: Base-Base interactions energy: -1419.130 where: short stacking energy: -586.023 Base-Backbone interact. energy: -2.021 local terms energy: -648.309038 where: bonds (distance) C4'-P energy: -120.838 bonds (distance) P-C4' energy: -125.765 flat angles C4'-P-C4' energy: -151.050 flat angles P-C4'-P energy: -77.142 tors. eta vs tors. theta energy: -173.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1873.480112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.480112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.480112 (E_RNA) where: Base-Base interactions energy: -1249.194 where: short stacking energy: -542.279 Base-Backbone interact. energy: 0.497 local terms energy: -624.783497 where: bonds (distance) C4'-P energy: -130.190 bonds (distance) P-C4' energy: -126.348 flat angles C4'-P-C4' energy: -144.690 flat angles P-C4'-P energy: -92.277 tors. eta vs tors. theta energy: -131.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1732.496368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.496368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.496368 (E_RNA) where: Base-Base interactions energy: -1147.744 where: short stacking energy: -505.271 Base-Backbone interact. energy: -2.428 local terms energy: -582.324867 where: bonds (distance) C4'-P energy: -134.666 bonds (distance) P-C4' energy: -124.805 flat angles C4'-P-C4' energy: -128.920 flat angles P-C4'-P energy: -85.630 tors. eta vs tors. theta energy: -108.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1411.661826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.661826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.661826 (E_RNA) where: Base-Base interactions energy: -898.699 where: short stacking energy: -430.929 Base-Backbone interact. energy: 0.506 local terms energy: -513.468490 where: bonds (distance) C4'-P energy: -120.910 bonds (distance) P-C4' energy: -123.987 flat angles C4'-P-C4' energy: -116.773 flat angles P-C4'-P energy: -59.249 tors. eta vs tors. theta energy: -92.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -922.560968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.560968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.560968 (E_RNA) where: Base-Base interactions energy: -486.071 where: short stacking energy: -271.056 Base-Backbone interact. energy: 0.809 local terms energy: -437.299043 where: bonds (distance) C4'-P energy: -119.451 bonds (distance) P-C4' energy: -136.148 flat angles C4'-P-C4' energy: -100.773 flat angles P-C4'-P energy: -71.563 tors. eta vs tors. theta energy: -9.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -659.312334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.312334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.312334 (E_RNA) where: Base-Base interactions energy: -290.497 where: short stacking energy: -192.276 Base-Backbone interact. energy: 9.515 local terms energy: -378.330999 where: bonds (distance) C4'-P energy: -113.053 bonds (distance) P-C4' energy: -123.057 flat angles C4'-P-C4' energy: -97.626 flat angles P-C4'-P energy: -61.604 tors. eta vs tors. theta energy: 17.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2587.102522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.102522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.102522 (E_RNA) where: Base-Base interactions energy: -1780.747 where: short stacking energy: -791.558 Base-Backbone interact. energy: -2.136 local terms energy: -804.219752 where: bonds (distance) C4'-P energy: -140.223 bonds (distance) P-C4' energy: -156.184 flat angles C4'-P-C4' energy: -166.336 flat angles P-C4'-P energy: -104.357 tors. eta vs tors. theta energy: -237.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2450.135004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.135004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.135004 (E_RNA) where: Base-Base interactions energy: -1647.738 where: short stacking energy: -709.064 Base-Backbone interact. energy: -3.464 local terms energy: -798.933315 where: bonds (distance) C4'-P energy: -146.617 bonds (distance) P-C4' energy: -153.015 flat angles C4'-P-C4' energy: -167.627 flat angles P-C4'-P energy: -119.184 tors. eta vs tors. theta energy: -212.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2343.771131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.771131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.771131 (E_RNA) where: Base-Base interactions energy: -1628.302 where: short stacking energy: -658.215 Base-Backbone interact. energy: -0.936 local terms energy: -714.533306 where: bonds (distance) C4'-P energy: -152.865 bonds (distance) P-C4' energy: -119.709 flat angles C4'-P-C4' energy: -163.917 flat angles P-C4'-P energy: -94.466 tors. eta vs tors. theta energy: -183.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2187.146387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.146387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.146387 (E_RNA) where: Base-Base interactions energy: -1500.277 where: short stacking energy: -660.224 Base-Backbone interact. energy: -1.673 local terms energy: -685.196266 where: bonds (distance) C4'-P energy: -128.734 bonds (distance) P-C4' energy: -149.765 flat angles C4'-P-C4' energy: -135.317 flat angles P-C4'-P energy: -84.619 tors. eta vs tors. theta energy: -186.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2054.168215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.168215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.168215 (E_RNA) where: Base-Base interactions energy: -1373.926 where: short stacking energy: -594.267 Base-Backbone interact. energy: 3.195 local terms energy: -683.436516 where: bonds (distance) C4'-P energy: -138.062 bonds (distance) P-C4' energy: -131.497 flat angles C4'-P-C4' energy: -132.824 flat angles P-C4'-P energy: -109.771 tors. eta vs tors. theta energy: -171.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1914.518765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.518765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.518765 (E_RNA) where: Base-Base interactions energy: -1308.000 where: short stacking energy: -569.175 Base-Backbone interact. energy: 2.414 local terms energy: -608.932649 where: bonds (distance) C4'-P energy: -121.328 bonds (distance) P-C4' energy: -121.748 flat angles C4'-P-C4' energy: -138.936 flat angles P-C4'-P energy: -73.631 tors. eta vs tors. theta energy: -153.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1696.620125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.620125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.620125 (E_RNA) where: Base-Base interactions energy: -1122.166 where: short stacking energy: -510.751 Base-Backbone interact. energy: -1.438 local terms energy: -573.015871 where: bonds (distance) C4'-P energy: -101.822 bonds (distance) P-C4' energy: -141.069 flat angles C4'-P-C4' energy: -132.980 flat angles P-C4'-P energy: -76.982 tors. eta vs tors. theta energy: -120.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1405.400596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.400596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.400596 (E_RNA) where: Base-Base interactions energy: -912.698 where: short stacking energy: -393.434 Base-Backbone interact. energy: -0.237 local terms energy: -492.465634 where: bonds (distance) C4'-P energy: -101.886 bonds (distance) P-C4' energy: -129.562 flat angles C4'-P-C4' energy: -129.093 flat angles P-C4'-P energy: -61.028 tors. eta vs tors. theta energy: -70.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -874.071469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.071469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.071469 (E_RNA) where: Base-Base interactions energy: -449.013 where: short stacking energy: -231.286 Base-Backbone interact. energy: 4.947 local terms energy: -430.005033 where: bonds (distance) C4'-P energy: -132.282 bonds (distance) P-C4' energy: -107.829 flat angles C4'-P-C4' energy: -116.397 flat angles P-C4'-P energy: -64.399 tors. eta vs tors. theta energy: -9.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -733.330651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.330651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.330651 (E_RNA) where: Base-Base interactions energy: -314.238 where: short stacking energy: -194.729 Base-Backbone interact. energy: -2.416 local terms energy: -416.676585 where: bonds (distance) C4'-P energy: -126.850 bonds (distance) P-C4' energy: -124.127 flat angles C4'-P-C4' energy: -115.657 flat angles P-C4'-P energy: -70.862 tors. eta vs tors. theta energy: 20.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2609.653723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.653723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.653723 (E_RNA) where: Base-Base interactions energy: -1795.320 where: short stacking energy: -756.095 Base-Backbone interact. energy: -2.683 local terms energy: -811.650595 where: bonds (distance) C4'-P energy: -142.822 bonds (distance) P-C4' energy: -148.613 flat angles C4'-P-C4' energy: -166.989 flat angles P-C4'-P energy: -116.894 tors. eta vs tors. theta energy: -236.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2474.700289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.700289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.700289 (E_RNA) where: Base-Base interactions energy: -1650.100 where: short stacking energy: -743.783 Base-Backbone interact. energy: -2.535 local terms energy: -822.064958 where: bonds (distance) C4'-P energy: -153.485 bonds (distance) P-C4' energy: -152.323 flat angles C4'-P-C4' energy: -172.856 flat angles P-C4'-P energy: -125.515 tors. eta vs tors. theta energy: -217.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2364.274892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.274892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.274892 (E_RNA) where: Base-Base interactions energy: -1612.585 where: short stacking energy: -695.276 Base-Backbone interact. energy: 3.064 local terms energy: -754.754029 where: bonds (distance) C4'-P energy: -143.780 bonds (distance) P-C4' energy: -150.292 flat angles C4'-P-C4' energy: -153.314 flat angles P-C4'-P energy: -113.438 tors. eta vs tors. theta energy: -193.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2142.056499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.056499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.056499 (E_RNA) where: Base-Base interactions energy: -1440.898 where: short stacking energy: -623.302 Base-Backbone interact. energy: 2.255 local terms energy: -703.413716 where: bonds (distance) C4'-P energy: -141.423 bonds (distance) P-C4' energy: -145.721 flat angles C4'-P-C4' energy: -151.301 flat angles P-C4'-P energy: -98.901 tors. eta vs tors. theta energy: -166.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1990.949626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.949626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.949626 (E_RNA) where: Base-Base interactions energy: -1345.494 where: short stacking energy: -569.186 Base-Backbone interact. energy: -2.566 local terms energy: -642.889226 where: bonds (distance) C4'-P energy: -118.360 bonds (distance) P-C4' energy: -114.679 flat angles C4'-P-C4' energy: -145.136 flat angles P-C4'-P energy: -109.502 tors. eta vs tors. theta energy: -155.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1858.673495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.673495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.673495 (E_RNA) where: Base-Base interactions energy: -1256.151 where: short stacking energy: -525.193 Base-Backbone interact. energy: 5.709 local terms energy: -608.231163 where: bonds (distance) C4'-P energy: -112.755 bonds (distance) P-C4' energy: -154.277 flat angles C4'-P-C4' energy: -130.686 flat angles P-C4'-P energy: -87.306 tors. eta vs tors. theta energy: -123.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1710.755095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.755095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.755095 (E_RNA) where: Base-Base interactions energy: -1104.836 where: short stacking energy: -487.935 Base-Backbone interact. energy: 0.416 local terms energy: -606.335179 where: bonds (distance) C4'-P energy: -125.560 bonds (distance) P-C4' energy: -137.039 flat angles C4'-P-C4' energy: -136.637 flat angles P-C4'-P energy: -91.669 tors. eta vs tors. theta energy: -115.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1428.212027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.212027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.212027 (E_RNA) where: Base-Base interactions energy: -895.391 where: short stacking energy: -395.283 Base-Backbone interact. energy: 5.047 local terms energy: -537.867856 where: bonds (distance) C4'-P energy: -132.721 bonds (distance) P-C4' energy: -140.607 flat angles C4'-P-C4' energy: -124.840 flat angles P-C4'-P energy: -64.215 tors. eta vs tors. theta energy: -75.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -905.010738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.010738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.010738 (E_RNA) where: Base-Base interactions energy: -464.598 where: short stacking energy: -226.047 Base-Backbone interact. energy: -0.975 local terms energy: -439.437672 where: bonds (distance) C4'-P energy: -117.571 bonds (distance) P-C4' energy: -150.726 flat angles C4'-P-C4' energy: -105.005 flat angles P-C4'-P energy: -78.620 tors. eta vs tors. theta energy: 12.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -691.987212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.987212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.987212 (E_RNA) where: Base-Base interactions energy: -311.289 where: short stacking energy: -178.390 Base-Backbone interact. energy: -1.250 local terms energy: -379.447409 where: bonds (distance) C4'-P energy: -131.860 bonds (distance) P-C4' energy: -113.034 flat angles C4'-P-C4' energy: -101.800 flat angles P-C4'-P energy: -59.055 tors. eta vs tors. theta energy: 26.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2595.099298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.099298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.099298 (E_RNA) where: Base-Base interactions energy: -1796.291 where: short stacking energy: -771.547 Base-Backbone interact. energy: 1.673 local terms energy: -800.480962 where: bonds (distance) C4'-P energy: -157.201 bonds (distance) P-C4' energy: -142.713 flat angles C4'-P-C4' energy: -162.259 flat angles P-C4'-P energy: -110.196 tors. eta vs tors. theta energy: -228.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2482.159434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.159434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.159434 (E_RNA) where: Base-Base interactions energy: -1687.396 where: short stacking energy: -727.512 Base-Backbone interact. energy: -4.003 local terms energy: -790.822589 where: bonds (distance) C4'-P energy: -149.008 bonds (distance) P-C4' energy: -140.049 flat angles C4'-P-C4' energy: -167.192 flat angles P-C4'-P energy: -117.238 tors. eta vs tors. theta energy: -217.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.063 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2372.555259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.555259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.555259 (E_RNA) where: Base-Base interactions energy: -1620.113 where: short stacking energy: -656.195 Base-Backbone interact. energy: -1.455 local terms energy: -750.986599 where: bonds (distance) C4'-P energy: -138.992 bonds (distance) P-C4' energy: -156.951 flat angles C4'-P-C4' energy: -169.536 flat angles P-C4'-P energy: -96.232 tors. eta vs tors. theta energy: -189.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2164.258574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.258574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.258574 (E_RNA) where: Base-Base interactions energy: -1463.844 where: short stacking energy: -635.799 Base-Backbone interact. energy: -1.273 local terms energy: -699.140882 where: bonds (distance) C4'-P energy: -136.343 bonds (distance) P-C4' energy: -134.479 flat angles C4'-P-C4' energy: -160.107 flat angles P-C4'-P energy: -97.809 tors. eta vs tors. theta energy: -170.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2070.884326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.884326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.884326 (E_RNA) where: Base-Base interactions energy: -1394.427 where: short stacking energy: -576.906 Base-Backbone interact. energy: -2.698 local terms energy: -673.759334 where: bonds (distance) C4'-P energy: -126.918 bonds (distance) P-C4' energy: -133.272 flat angles C4'-P-C4' energy: -141.069 flat angles P-C4'-P energy: -117.221 tors. eta vs tors. theta energy: -155.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1901.156122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.156122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.156122 (E_RNA) where: Base-Base interactions energy: -1291.442 where: short stacking energy: -559.305 Base-Backbone interact. energy: 7.978 local terms energy: -617.691414 where: bonds (distance) C4'-P energy: -99.234 bonds (distance) P-C4' energy: -145.104 flat angles C4'-P-C4' energy: -144.911 flat angles P-C4'-P energy: -96.006 tors. eta vs tors. theta energy: -132.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1751.941756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.941756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.941756 (E_RNA) where: Base-Base interactions energy: -1156.655 where: short stacking energy: -497.816 Base-Backbone interact. energy: 1.135 local terms energy: -596.421807 where: bonds (distance) C4'-P energy: -120.772 bonds (distance) P-C4' energy: -121.466 flat angles C4'-P-C4' energy: -153.367 flat angles P-C4'-P energy: -90.013 tors. eta vs tors. theta energy: -110.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1441.732370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.732370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.732370 (E_RNA) where: Base-Base interactions energy: -895.165 where: short stacking energy: -409.905 Base-Backbone interact. energy: -1.990 local terms energy: -544.577575 where: bonds (distance) C4'-P energy: -140.175 bonds (distance) P-C4' energy: -118.050 flat angles C4'-P-C4' energy: -120.458 flat angles P-C4'-P energy: -80.303 tors. eta vs tors. theta energy: -85.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -841.136212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.136212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.136212 (E_RNA) where: Base-Base interactions energy: -424.350 where: short stacking energy: -244.685 Base-Backbone interact. energy: 3.679 local terms energy: -420.465286 where: bonds (distance) C4'-P energy: -118.138 bonds (distance) P-C4' energy: -141.513 flat angles C4'-P-C4' energy: -99.805 flat angles P-C4'-P energy: -53.158 tors. eta vs tors. theta energy: -7.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -800.074698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.074698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.074698 (E_RNA) where: Base-Base interactions energy: -433.106 where: short stacking energy: -231.209 Base-Backbone interact. energy: 2.803 local terms energy: -369.771166 where: bonds (distance) C4'-P energy: -100.481 bonds (distance) P-C4' energy: -99.257 flat angles C4'-P-C4' energy: -95.582 flat angles P-C4'-P energy: -71.306 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2601.212040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.212040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.212040 (E_RNA) where: Base-Base interactions energy: -1813.026 where: short stacking energy: -774.753 Base-Backbone interact. energy: -3.885 local terms energy: -784.301044 where: bonds (distance) C4'-P energy: -141.001 bonds (distance) P-C4' energy: -133.114 flat angles C4'-P-C4' energy: -167.825 flat angles P-C4'-P energy: -107.400 tors. eta vs tors. theta energy: -234.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2443.391103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.391103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.391103 (E_RNA) where: Base-Base interactions energy: -1662.147 where: short stacking energy: -735.738 Base-Backbone interact. energy: -3.226 local terms energy: -778.017566 where: bonds (distance) C4'-P energy: -144.561 bonds (distance) P-C4' energy: -136.954 flat angles C4'-P-C4' energy: -165.171 flat angles P-C4'-P energy: -102.181 tors. eta vs tors. theta energy: -229.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2339.028228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.028228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.028228 (E_RNA) where: Base-Base interactions energy: -1622.210 where: short stacking energy: -710.109 Base-Backbone interact. energy: -1.642 local terms energy: -715.176240 where: bonds (distance) C4'-P energy: -138.736 bonds (distance) P-C4' energy: -143.532 flat angles C4'-P-C4' energy: -155.617 flat angles P-C4'-P energy: -93.911 tors. eta vs tors. theta energy: -183.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2153.094401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.094401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.094401 (E_RNA) where: Base-Base interactions energy: -1437.999 where: short stacking energy: -628.058 Base-Backbone interact. energy: -1.139 local terms energy: -713.956619 where: bonds (distance) C4'-P energy: -132.471 bonds (distance) P-C4' energy: -155.576 flat angles C4'-P-C4' energy: -144.341 flat angles P-C4'-P energy: -103.422 tors. eta vs tors. theta energy: -178.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2020.638141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.638141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.638141 (E_RNA) where: Base-Base interactions energy: -1344.109 where: short stacking energy: -618.315 Base-Backbone interact. energy: -1.660 local terms energy: -674.869393 where: bonds (distance) C4'-P energy: -138.351 bonds (distance) P-C4' energy: -141.983 flat angles C4'-P-C4' energy: -142.523 flat angles P-C4'-P energy: -94.455 tors. eta vs tors. theta energy: -157.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1912.115675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.115675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.115675 (E_RNA) where: Base-Base interactions energy: -1251.881 where: short stacking energy: -529.564 Base-Backbone interact. energy: -2.950 local terms energy: -657.285204 where: bonds (distance) C4'-P energy: -129.626 bonds (distance) P-C4' energy: -147.960 flat angles C4'-P-C4' energy: -133.209 flat angles P-C4'-P energy: -97.461 tors. eta vs tors. theta energy: -149.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1676.351614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.351614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.351614 (E_RNA) where: Base-Base interactions energy: -1074.913 where: short stacking energy: -479.244 Base-Backbone interact. energy: -0.941 local terms energy: -600.497129 where: bonds (distance) C4'-P energy: -124.747 bonds (distance) P-C4' energy: -136.906 flat angles C4'-P-C4' energy: -142.217 flat angles P-C4'-P energy: -87.466 tors. eta vs tors. theta energy: -109.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1479.580593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.580593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.580593 (E_RNA) where: Base-Base interactions energy: -948.348 where: short stacking energy: -427.002 Base-Backbone interact. energy: -1.011 local terms energy: -530.221922 where: bonds (distance) C4'-P energy: -119.172 bonds (distance) P-C4' energy: -134.435 flat angles C4'-P-C4' energy: -122.914 flat angles P-C4'-P energy: -52.938 tors. eta vs tors. theta energy: -100.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -888.418203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.418203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.418203 (E_RNA) where: Base-Base interactions energy: -463.705 where: short stacking energy: -245.551 Base-Backbone interact. energy: -1.043 local terms energy: -423.669763 where: bonds (distance) C4'-P energy: -115.972 bonds (distance) P-C4' energy: -129.407 flat angles C4'-P-C4' energy: -136.525 flat angles P-C4'-P energy: -49.575 tors. eta vs tors. theta energy: 7.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -736.451940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.451940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.451940 (E_RNA) where: Base-Base interactions energy: -377.096 where: short stacking energy: -214.369 Base-Backbone interact. energy: 2.858 local terms energy: -362.214026 where: bonds (distance) C4'-P energy: -102.936 bonds (distance) P-C4' energy: -123.721 flat angles C4'-P-C4' energy: -91.604 flat angles P-C4'-P energy: -41.868 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2626.203450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.203450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.203450 (E_RNA) where: Base-Base interactions energy: -1809.365 where: short stacking energy: -778.044 Base-Backbone interact. energy: -0.370 local terms energy: -816.467701 where: bonds (distance) C4'-P energy: -154.052 bonds (distance) P-C4' energy: -158.123 flat angles C4'-P-C4' energy: -165.703 flat angles P-C4'-P energy: -109.240 tors. eta vs tors. theta energy: -229.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2435.007943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.007943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.007943 (E_RNA) where: Base-Base interactions energy: -1657.502 where: short stacking energy: -726.656 Base-Backbone interact. energy: -3.450 local terms energy: -774.055737 where: bonds (distance) C4'-P energy: -137.811 bonds (distance) P-C4' energy: -145.399 flat angles C4'-P-C4' energy: -167.217 flat angles P-C4'-P energy: -103.883 tors. eta vs tors. theta energy: -219.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2387.706146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.706146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.706146 (E_RNA) where: Base-Base interactions energy: -1647.779 where: short stacking energy: -673.926 Base-Backbone interact. energy: -3.620 local terms energy: -736.307196 where: bonds (distance) C4'-P energy: -139.009 bonds (distance) P-C4' energy: -157.536 flat angles C4'-P-C4' energy: -157.861 flat angles P-C4'-P energy: -98.104 tors. eta vs tors. theta energy: -183.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2108.316572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.316572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.316572 (E_RNA) where: Base-Base interactions energy: -1430.301 where: short stacking energy: -591.389 Base-Backbone interact. energy: -0.635 local terms energy: -677.380259 where: bonds (distance) C4'-P energy: -142.479 bonds (distance) P-C4' energy: -115.181 flat angles C4'-P-C4' energy: -166.380 flat angles P-C4'-P energy: -91.470 tors. eta vs tors. theta energy: -161.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2079.953636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.953636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.953636 (E_RNA) where: Base-Base interactions energy: -1405.621 where: short stacking energy: -618.803 Base-Backbone interact. energy: 1.300 local terms energy: -675.632302 where: bonds (distance) C4'-P energy: -124.744 bonds (distance) P-C4' energy: -115.852 flat angles C4'-P-C4' energy: -165.009 flat angles P-C4'-P energy: -99.558 tors. eta vs tors. theta energy: -170.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1976.252331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.252331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.252331 (E_RNA) where: Base-Base interactions energy: -1351.048 where: short stacking energy: -587.674 Base-Backbone interact. energy: -0.623 local terms energy: -624.581427 where: bonds (distance) C4'-P energy: -135.249 bonds (distance) P-C4' energy: -114.604 flat angles C4'-P-C4' energy: -138.159 flat angles P-C4'-P energy: -89.006 tors. eta vs tors. theta energy: -147.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1694.848359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.848359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.848359 (E_RNA) where: Base-Base interactions energy: -1090.071 where: short stacking energy: -488.453 Base-Backbone interact. energy: 2.527 local terms energy: -607.304591 where: bonds (distance) C4'-P energy: -118.559 bonds (distance) P-C4' energy: -146.904 flat angles C4'-P-C4' energy: -132.087 flat angles P-C4'-P energy: -87.192 tors. eta vs tors. theta energy: -122.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1447.853518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.853518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.853518 (E_RNA) where: Base-Base interactions energy: -926.220 where: short stacking energy: -429.477 Base-Backbone interact. energy: -0.237 local terms energy: -521.396062 where: bonds (distance) C4'-P energy: -110.886 bonds (distance) P-C4' energy: -118.880 flat angles C4'-P-C4' energy: -125.204 flat angles P-C4'-P energy: -86.822 tors. eta vs tors. theta energy: -79.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -931.658917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.658917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.658917 (E_RNA) where: Base-Base interactions energy: -476.549 where: short stacking energy: -248.062 Base-Backbone interact. energy: 6.698 local terms energy: -461.808069 where: bonds (distance) C4'-P energy: -104.030 bonds (distance) P-C4' energy: -139.868 flat angles C4'-P-C4' energy: -122.792 flat angles P-C4'-P energy: -68.082 tors. eta vs tors. theta energy: -27.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -736.101528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.101528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.101528 (E_RNA) where: Base-Base interactions energy: -356.503 where: short stacking energy: -209.822 Base-Backbone interact. energy: -2.094 local terms energy: -377.504559 where: bonds (distance) C4'-P energy: -120.529 bonds (distance) P-C4' energy: -118.493 flat angles C4'-P-C4' energy: -98.232 flat angles P-C4'-P energy: -41.442 tors. eta vs tors. theta energy: 1.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2610.217749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.217749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.217749 (E_RNA) where: Base-Base interactions energy: -1808.534 where: short stacking energy: -776.179 Base-Backbone interact. energy: -2.316 local terms energy: -799.367930 where: bonds (distance) C4'-P energy: -143.115 bonds (distance) P-C4' energy: -151.366 flat angles C4'-P-C4' energy: -172.472 flat angles P-C4'-P energy: -103.351 tors. eta vs tors. theta energy: -229.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2462.140324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.140324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.140324 (E_RNA) where: Base-Base interactions energy: -1674.906 where: short stacking energy: -740.559 Base-Backbone interact. energy: -5.873 local terms energy: -781.361775 where: bonds (distance) C4'-P energy: -143.401 bonds (distance) P-C4' energy: -147.713 flat angles C4'-P-C4' energy: -171.553 flat angles P-C4'-P energy: -104.039 tors. eta vs tors. theta energy: -214.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2306.852027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.852027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.852027 (E_RNA) where: Base-Base interactions energy: -1580.244 where: short stacking energy: -676.934 Base-Backbone interact. energy: -3.793 local terms energy: -722.815166 where: bonds (distance) C4'-P energy: -123.522 bonds (distance) P-C4' energy: -152.479 flat angles C4'-P-C4' energy: -168.611 flat angles P-C4'-P energy: -98.166 tors. eta vs tors. theta energy: -180.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2178.803013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.803013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.803013 (E_RNA) where: Base-Base interactions energy: -1478.275 where: short stacking energy: -631.634 Base-Backbone interact. energy: -2.947 local terms energy: -697.581093 where: bonds (distance) C4'-P energy: -130.288 bonds (distance) P-C4' energy: -131.031 flat angles C4'-P-C4' energy: -156.978 flat angles P-C4'-P energy: -99.735 tors. eta vs tors. theta energy: -179.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2044.882650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.882650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.882650 (E_RNA) where: Base-Base interactions energy: -1372.504 where: short stacking energy: -625.889 Base-Backbone interact. energy: 3.574 local terms energy: -675.952169 where: bonds (distance) C4'-P energy: -123.965 bonds (distance) P-C4' energy: -127.569 flat angles C4'-P-C4' energy: -153.174 flat angles P-C4'-P energy: -108.072 tors. eta vs tors. theta energy: -163.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1927.371675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.371675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.371675 (E_RNA) where: Base-Base interactions energy: -1302.853 where: short stacking energy: -567.064 Base-Backbone interact. energy: -1.381 local terms energy: -623.137655 where: bonds (distance) C4'-P energy: -127.818 bonds (distance) P-C4' energy: -129.699 flat angles C4'-P-C4' energy: -143.085 flat angles P-C4'-P energy: -82.009 tors. eta vs tors. theta energy: -140.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1685.148248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.148248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.148248 (E_RNA) where: Base-Base interactions energy: -1101.039 where: short stacking energy: -476.510 Base-Backbone interact. energy: 3.212 local terms energy: -587.321773 where: bonds (distance) C4'-P energy: -127.819 bonds (distance) P-C4' energy: -136.303 flat angles C4'-P-C4' energy: -143.150 flat angles P-C4'-P energy: -82.227 tors. eta vs tors. theta energy: -97.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1398.722604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.722604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.722604 (E_RNA) where: Base-Base interactions energy: -859.612 where: short stacking energy: -407.323 Base-Backbone interact. energy: -0.396 local terms energy: -538.715174 where: bonds (distance) C4'-P energy: -113.253 bonds (distance) P-C4' energy: -131.083 flat angles C4'-P-C4' energy: -127.678 flat angles P-C4'-P energy: -91.111 tors. eta vs tors. theta energy: -75.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -897.931586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.931586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.931586 (E_RNA) where: Base-Base interactions energy: -462.456 where: short stacking energy: -238.959 Base-Backbone interact. energy: -1.798 local terms energy: -433.678030 where: bonds (distance) C4'-P energy: -115.095 bonds (distance) P-C4' energy: -131.015 flat angles C4'-P-C4' energy: -117.524 flat angles P-C4'-P energy: -55.914 tors. eta vs tors. theta energy: -14.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -740.762233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.762233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.762233 (E_RNA) where: Base-Base interactions energy: -368.787 where: short stacking energy: -225.531 Base-Backbone interact. energy: -0.839 local terms energy: -371.136151 where: bonds (distance) C4'-P energy: -106.553 bonds (distance) P-C4' energy: -113.775 flat angles C4'-P-C4' energy: -85.740 flat angles P-C4'-P energy: -72.019 tors. eta vs tors. theta energy: 6.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2624.351268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.351268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.351268 (E_RNA) where: Base-Base interactions energy: -1795.363 where: short stacking energy: -769.526 Base-Backbone interact. energy: -2.164 local terms energy: -826.824966 where: bonds (distance) C4'-P energy: -149.668 bonds (distance) P-C4' energy: -159.618 flat angles C4'-P-C4' energy: -166.824 flat angles P-C4'-P energy: -111.432 tors. eta vs tors. theta energy: -239.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2503.040214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.040214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.040214 (E_RNA) where: Base-Base interactions energy: -1704.702 where: short stacking energy: -765.859 Base-Backbone interact. energy: -4.750 local terms energy: -793.587869 where: bonds (distance) C4'-P energy: -139.365 bonds (distance) P-C4' energy: -143.153 flat angles C4'-P-C4' energy: -171.689 flat angles P-C4'-P energy: -111.337 tors. eta vs tors. theta energy: -228.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2332.820428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.820428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.820428 (E_RNA) where: Base-Base interactions energy: -1588.195 where: short stacking energy: -655.838 Base-Backbone interact. energy: -2.310 local terms energy: -742.315313 where: bonds (distance) C4'-P energy: -139.595 bonds (distance) P-C4' energy: -142.585 flat angles C4'-P-C4' energy: -161.047 flat angles P-C4'-P energy: -120.920 tors. eta vs tors. theta energy: -178.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2143.830371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.830371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.830371 (E_RNA) where: Base-Base interactions energy: -1449.922 where: short stacking energy: -609.660 Base-Backbone interact. energy: -3.007 local terms energy: -690.901302 where: bonds (distance) C4'-P energy: -142.974 bonds (distance) P-C4' energy: -134.088 flat angles C4'-P-C4' energy: -138.415 flat angles P-C4'-P energy: -99.910 tors. eta vs tors. theta energy: -175.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2026.281507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.281507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.281507 (E_RNA) where: Base-Base interactions energy: -1379.292 where: short stacking energy: -593.714 Base-Backbone interact. energy: -2.306 local terms energy: -644.683266 where: bonds (distance) C4'-P energy: -117.430 bonds (distance) P-C4' energy: -124.453 flat angles C4'-P-C4' energy: -135.648 flat angles P-C4'-P energy: -102.585 tors. eta vs tors. theta energy: -164.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1937.572507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.572507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.572507 (E_RNA) where: Base-Base interactions energy: -1335.173 where: short stacking energy: -597.252 Base-Backbone interact. energy: 0.747 local terms energy: -603.146317 where: bonds (distance) C4'-P energy: -103.498 bonds (distance) P-C4' energy: -107.083 flat angles C4'-P-C4' energy: -146.091 flat angles P-C4'-P energy: -102.606 tors. eta vs tors. theta energy: -143.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1649.969584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.969584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.969584 (E_RNA) where: Base-Base interactions energy: -1066.437 where: short stacking energy: -473.489 Base-Backbone interact. energy: -2.565 local terms energy: -580.967488 where: bonds (distance) C4'-P energy: -139.962 bonds (distance) P-C4' energy: -133.193 flat angles C4'-P-C4' energy: -126.283 flat angles P-C4'-P energy: -73.154 tors. eta vs tors. theta energy: -108.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1389.418699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.418699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.418699 (E_RNA) where: Base-Base interactions energy: -839.503 where: short stacking energy: -395.042 Base-Backbone interact. energy: -1.380 local terms energy: -548.535613 where: bonds (distance) C4'-P energy: -135.683 bonds (distance) P-C4' energy: -140.075 flat angles C4'-P-C4' energy: -138.120 flat angles P-C4'-P energy: -73.357 tors. eta vs tors. theta energy: -61.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -886.669485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.669485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.669485 (E_RNA) where: Base-Base interactions energy: -505.822 where: short stacking energy: -251.149 Base-Backbone interact. energy: -2.676 local terms energy: -378.171775 where: bonds (distance) C4'-P energy: -109.768 bonds (distance) P-C4' energy: -110.708 flat angles C4'-P-C4' energy: -100.106 flat angles P-C4'-P energy: -60.498 tors. eta vs tors. theta energy: 2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -821.504090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.504090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.504090 (E_RNA) where: Base-Base interactions energy: -441.915 where: short stacking energy: -238.072 Base-Backbone interact. energy: 5.924 local terms energy: -385.513215 where: bonds (distance) C4'-P energy: -88.710 bonds (distance) P-C4' energy: -110.628 flat angles C4'-P-C4' energy: -96.795 flat angles P-C4'-P energy: -66.540 tors. eta vs tors. theta energy: -22.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2626.506850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.506850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.506850 (E_RNA) where: Base-Base interactions energy: -1806.085 where: short stacking energy: -775.451 Base-Backbone interact. energy: -3.378 local terms energy: -817.043806 where: bonds (distance) C4'-P energy: -152.733 bonds (distance) P-C4' energy: -160.329 flat angles C4'-P-C4' energy: -160.174 flat angles P-C4'-P energy: -117.770 tors. eta vs tors. theta energy: -226.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2491.887528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.887528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.887528 (E_RNA) where: Base-Base interactions energy: -1688.634 where: short stacking energy: -794.002 Base-Backbone interact. energy: 4.510 local terms energy: -807.763100 where: bonds (distance) C4'-P energy: -150.144 bonds (distance) P-C4' energy: -146.412 flat angles C4'-P-C4' energy: -175.039 flat angles P-C4'-P energy: -100.245 tors. eta vs tors. theta energy: -235.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2380.628815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.628815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.628815 (E_RNA) where: Base-Base interactions energy: -1644.022 where: short stacking energy: -693.270 Base-Backbone interact. energy: -2.002 local terms energy: -734.605311 where: bonds (distance) C4'-P energy: -140.825 bonds (distance) P-C4' energy: -141.671 flat angles C4'-P-C4' energy: -160.535 flat angles P-C4'-P energy: -106.211 tors. eta vs tors. theta energy: -185.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2171.422588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.422588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.422588 (E_RNA) where: Base-Base interactions energy: -1509.424 where: short stacking energy: -621.570 Base-Backbone interact. energy: -0.637 local terms energy: -661.361714 where: bonds (distance) C4'-P energy: -135.791 bonds (distance) P-C4' energy: -132.761 flat angles C4'-P-C4' energy: -150.840 flat angles P-C4'-P energy: -90.549 tors. eta vs tors. theta energy: -151.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2048.891018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.891018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.891018 (E_RNA) where: Base-Base interactions energy: -1376.755 where: short stacking energy: -583.902 Base-Backbone interact. energy: -0.730 local terms energy: -671.405870 where: bonds (distance) C4'-P energy: -116.884 bonds (distance) P-C4' energy: -139.811 flat angles C4'-P-C4' energy: -154.993 flat angles P-C4'-P energy: -105.178 tors. eta vs tors. theta energy: -154.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1892.379923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.379923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.379923 (E_RNA) where: Base-Base interactions energy: -1266.633 where: short stacking energy: -549.246 Base-Backbone interact. energy: -2.439 local terms energy: -623.308417 where: bonds (distance) C4'-P energy: -118.951 bonds (distance) P-C4' energy: -138.138 flat angles C4'-P-C4' energy: -141.059 flat angles P-C4'-P energy: -84.947 tors. eta vs tors. theta energy: -140.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1616.451586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.451586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.451586 (E_RNA) where: Base-Base interactions energy: -1013.068 where: short stacking energy: -478.408 Base-Backbone interact. energy: -3.729 local terms energy: -599.654053 where: bonds (distance) C4'-P energy: -114.834 bonds (distance) P-C4' energy: -145.626 flat angles C4'-P-C4' energy: -142.079 flat angles P-C4'-P energy: -91.105 tors. eta vs tors. theta energy: -106.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1334.357102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.357102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.357102 (E_RNA) where: Base-Base interactions energy: -791.474 where: short stacking energy: -359.788 Base-Backbone interact. energy: -4.417 local terms energy: -538.466067 where: bonds (distance) C4'-P energy: -125.116 bonds (distance) P-C4' energy: -164.415 flat angles C4'-P-C4' energy: -109.904 flat angles P-C4'-P energy: -77.530 tors. eta vs tors. theta energy: -61.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -861.981257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.981257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.981257 (E_RNA) where: Base-Base interactions energy: -445.933 where: short stacking energy: -240.775 Base-Backbone interact. energy: -2.180 local terms energy: -415.704084 where: bonds (distance) C4'-P energy: -106.968 bonds (distance) P-C4' energy: -125.156 flat angles C4'-P-C4' energy: -95.191 flat angles P-C4'-P energy: -71.387 tors. eta vs tors. theta energy: -17.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.835 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -759.902824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.902824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.902824 (E_RNA) where: Base-Base interactions energy: -370.579 where: short stacking energy: -236.660 Base-Backbone interact. energy: 0.018 local terms energy: -389.341443 where: bonds (distance) C4'-P energy: -107.324 bonds (distance) P-C4' energy: -116.401 flat angles C4'-P-C4' energy: -110.230 flat angles P-C4'-P energy: -70.215 tors. eta vs tors. theta energy: 14.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2593.197489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.197489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.197489 (E_RNA) where: Base-Base interactions energy: -1774.527 where: short stacking energy: -764.490 Base-Backbone interact. energy: -3.889 local terms energy: -814.782091 where: bonds (distance) C4'-P energy: -130.309 bonds (distance) P-C4' energy: -162.016 flat angles C4'-P-C4' energy: -170.658 flat angles P-C4'-P energy: -114.508 tors. eta vs tors. theta energy: -237.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2496.639967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.639967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.639967 (E_RNA) where: Base-Base interactions energy: -1701.425 where: short stacking energy: -747.600 Base-Backbone interact. energy: -2.988 local terms energy: -792.227455 where: bonds (distance) C4'-P energy: -154.046 bonds (distance) P-C4' energy: -150.155 flat angles C4'-P-C4' energy: -166.216 flat angles P-C4'-P energy: -106.414 tors. eta vs tors. theta energy: -215.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2333.788290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.788290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.788290 (E_RNA) where: Base-Base interactions energy: -1633.366 where: short stacking energy: -653.730 Base-Backbone interact. energy: 2.423 local terms energy: -702.845206 where: bonds (distance) C4'-P energy: -127.630 bonds (distance) P-C4' energy: -131.897 flat angles C4'-P-C4' energy: -160.708 flat angles P-C4'-P energy: -109.619 tors. eta vs tors. theta energy: -172.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2186.524732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.524732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.524732 (E_RNA) where: Base-Base interactions energy: -1503.121 where: short stacking energy: -636.945 Base-Backbone interact. energy: 0.403 local terms energy: -683.805876 where: bonds (distance) C4'-P energy: -128.931 bonds (distance) P-C4' energy: -143.895 flat angles C4'-P-C4' energy: -147.931 flat angles P-C4'-P energy: -77.621 tors. eta vs tors. theta energy: -185.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2044.151185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.151185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.151185 (E_RNA) where: Base-Base interactions energy: -1377.064 where: short stacking energy: -600.830 Base-Backbone interact. energy: -2.337 local terms energy: -664.750655 where: bonds (distance) C4'-P energy: -127.424 bonds (distance) P-C4' energy: -132.503 flat angles C4'-P-C4' energy: -142.499 flat angles P-C4'-P energy: -94.594 tors. eta vs tors. theta energy: -167.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1829.153656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.153656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.153656 (E_RNA) where: Base-Base interactions energy: -1255.992 where: short stacking energy: -543.634 Base-Backbone interact. energy: -1.233 local terms energy: -571.928185 where: bonds (distance) C4'-P energy: -113.877 bonds (distance) P-C4' energy: -121.873 flat angles C4'-P-C4' energy: -138.971 flat angles P-C4'-P energy: -67.023 tors. eta vs tors. theta energy: -130.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1548.849041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.849041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.849041 (E_RNA) where: Base-Base interactions energy: -1004.045 where: short stacking energy: -469.711 Base-Backbone interact. energy: 5.065 local terms energy: -549.869465 where: bonds (distance) C4'-P energy: -120.250 bonds (distance) P-C4' energy: -131.365 flat angles C4'-P-C4' energy: -125.622 flat angles P-C4'-P energy: -78.077 tors. eta vs tors. theta energy: -94.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1319.759116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.759116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.759116 (E_RNA) where: Base-Base interactions energy: -818.166 where: short stacking energy: -374.622 Base-Backbone interact. energy: -2.962 local terms energy: -498.631048 where: bonds (distance) C4'-P energy: -129.720 bonds (distance) P-C4' energy: -132.631 flat angles C4'-P-C4' energy: -107.928 flat angles P-C4'-P energy: -66.075 tors. eta vs tors. theta energy: -62.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -883.988051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.988051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.988051 (E_RNA) where: Base-Base interactions energy: -478.466 where: short stacking energy: -286.995 Base-Backbone interact. energy: -0.034 local terms energy: -405.488063 where: bonds (distance) C4'-P energy: -98.543 bonds (distance) P-C4' energy: -102.235 flat angles C4'-P-C4' energy: -113.976 flat angles P-C4'-P energy: -65.961 tors. eta vs tors. theta energy: -24.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -730.032667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.032667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.032667 (E_RNA) where: Base-Base interactions energy: -353.255 where: short stacking energy: -205.463 Base-Backbone interact. energy: 3.845 local terms energy: -380.622207 where: bonds (distance) C4'-P energy: -107.318 bonds (distance) P-C4' energy: -130.823 flat angles C4'-P-C4' energy: -107.771 flat angles P-C4'-P energy: -46.483 tors. eta vs tors. theta energy: 11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2605.363938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.363938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.363938 (E_RNA) where: Base-Base interactions energy: -1792.171 where: short stacking energy: -771.024 Base-Backbone interact. energy: -0.669 local terms energy: -812.523974 where: bonds (distance) C4'-P energy: -142.986 bonds (distance) P-C4' energy: -145.155 flat angles C4'-P-C4' energy: -176.480 flat angles P-C4'-P energy: -114.767 tors. eta vs tors. theta energy: -233.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2514.705731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.705731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.705731 (E_RNA) where: Base-Base interactions energy: -1712.235 where: short stacking energy: -780.134 Base-Backbone interact. energy: -1.473 local terms energy: -800.997715 where: bonds (distance) C4'-P energy: -144.057 bonds (distance) P-C4' energy: -133.577 flat angles C4'-P-C4' energy: -179.146 flat angles P-C4'-P energy: -114.007 tors. eta vs tors. theta energy: -230.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2337.034237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.034237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.034237 (E_RNA) where: Base-Base interactions energy: -1610.122 where: short stacking energy: -675.841 Base-Backbone interact. energy: -2.172 local terms energy: -724.739965 where: bonds (distance) C4'-P energy: -136.205 bonds (distance) P-C4' energy: -132.676 flat angles C4'-P-C4' energy: -156.204 flat angles P-C4'-P energy: -100.744 tors. eta vs tors. theta energy: -198.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2221.549988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.549988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.549988 (E_RNA) where: Base-Base interactions energy: -1510.227 where: short stacking energy: -642.186 Base-Backbone interact. energy: 1.515 local terms energy: -712.838656 where: bonds (distance) C4'-P energy: -133.264 bonds (distance) P-C4' energy: -145.991 flat angles C4'-P-C4' energy: -155.238 flat angles P-C4'-P energy: -98.535 tors. eta vs tors. theta energy: -179.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2079.349437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.349437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.349437 (E_RNA) where: Base-Base interactions energy: -1384.109 where: short stacking energy: -598.953 Base-Backbone interact. energy: -3.267 local terms energy: -691.973884 where: bonds (distance) C4'-P energy: -143.555 bonds (distance) P-C4' energy: -133.365 flat angles C4'-P-C4' energy: -160.593 flat angles P-C4'-P energy: -79.783 tors. eta vs tors. theta energy: -174.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1829.720666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.720666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.720666 (E_RNA) where: Base-Base interactions energy: -1244.685 where: short stacking energy: -523.388 Base-Backbone interact. energy: -0.871 local terms energy: -584.165243 where: bonds (distance) C4'-P energy: -114.484 bonds (distance) P-C4' energy: -133.171 flat angles C4'-P-C4' energy: -130.492 flat angles P-C4'-P energy: -87.132 tors. eta vs tors. theta energy: -118.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1589.281673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.281673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.281673 (E_RNA) where: Base-Base interactions energy: -979.903 where: short stacking energy: -454.104 Base-Backbone interact. energy: -0.753 local terms energy: -608.626357 where: bonds (distance) C4'-P energy: -140.655 bonds (distance) P-C4' energy: -132.904 flat angles C4'-P-C4' energy: -137.324 flat angles P-C4'-P energy: -95.933 tors. eta vs tors. theta energy: -101.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1294.481228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.481228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.481228 (E_RNA) where: Base-Base interactions energy: -814.300 where: short stacking energy: -394.185 Base-Backbone interact. energy: 7.781 local terms energy: -487.961672 where: bonds (distance) C4'-P energy: -123.858 bonds (distance) P-C4' energy: -119.705 flat angles C4'-P-C4' energy: -125.109 flat angles P-C4'-P energy: -49.429 tors. eta vs tors. theta energy: -69.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -928.567337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.567337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.567337 (E_RNA) where: Base-Base interactions energy: -468.856 where: short stacking energy: -274.030 Base-Backbone interact. energy: -0.220 local terms energy: -459.491166 where: bonds (distance) C4'-P energy: -128.091 bonds (distance) P-C4' energy: -124.884 flat angles C4'-P-C4' energy: -94.730 flat angles P-C4'-P energy: -82.214 tors. eta vs tors. theta energy: -29.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -715.130476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.130476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.130476 (E_RNA) where: Base-Base interactions energy: -326.504 where: short stacking energy: -173.038 Base-Backbone interact. energy: -3.520 local terms energy: -385.106099 where: bonds (distance) C4'-P energy: -120.283 bonds (distance) P-C4' energy: -117.814 flat angles C4'-P-C4' energy: -100.850 flat angles P-C4'-P energy: -63.301 tors. eta vs tors. theta energy: 17.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2583.554384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.554384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.554384 (E_RNA) where: Base-Base interactions energy: -1768.822 where: short stacking energy: -750.711 Base-Backbone interact. energy: -2.234 local terms energy: -812.497904 where: bonds (distance) C4'-P energy: -141.976 bonds (distance) P-C4' energy: -162.652 flat angles C4'-P-C4' energy: -175.476 flat angles P-C4'-P energy: -105.152 tors. eta vs tors. theta energy: -227.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2493.755663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.755663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.755663 (E_RNA) where: Base-Base interactions energy: -1693.015 where: short stacking energy: -746.137 Base-Backbone interact. energy: -2.636 local terms energy: -798.104647 where: bonds (distance) C4'-P energy: -149.603 bonds (distance) P-C4' energy: -144.968 flat angles C4'-P-C4' energy: -161.623 flat angles P-C4'-P energy: -118.859 tors. eta vs tors. theta energy: -223.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2340.614459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.614459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.614459 (E_RNA) where: Base-Base interactions energy: -1631.592 where: short stacking energy: -685.008 Base-Backbone interact. energy: -1.653 local terms energy: -707.369030 where: bonds (distance) C4'-P energy: -135.449 bonds (distance) P-C4' energy: -132.211 flat angles C4'-P-C4' energy: -153.093 flat angles P-C4'-P energy: -94.278 tors. eta vs tors. theta energy: -192.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2275.658946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.658946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.658946 (E_RNA) where: Base-Base interactions energy: -1564.045 where: short stacking energy: -664.604 Base-Backbone interact. energy: -2.524 local terms energy: -709.090200 where: bonds (distance) C4'-P energy: -125.553 bonds (distance) P-C4' energy: -144.324 flat angles C4'-P-C4' energy: -153.830 flat angles P-C4'-P energy: -99.864 tors. eta vs tors. theta energy: -185.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2030.441388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.441388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.441388 (E_RNA) where: Base-Base interactions energy: -1352.514 where: short stacking energy: -578.000 Base-Backbone interact. energy: -0.580 local terms energy: -677.347161 where: bonds (distance) C4'-P energy: -144.183 bonds (distance) P-C4' energy: -133.841 flat angles C4'-P-C4' energy: -160.145 flat angles P-C4'-P energy: -90.007 tors. eta vs tors. theta energy: -149.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1856.439579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.439579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.439579 (E_RNA) where: Base-Base interactions energy: -1240.949 where: short stacking energy: -532.183 Base-Backbone interact. energy: 0.042 local terms energy: -615.532625 where: bonds (distance) C4'-P energy: -139.652 bonds (distance) P-C4' energy: -136.287 flat angles C4'-P-C4' energy: -141.023 flat angles P-C4'-P energy: -93.564 tors. eta vs tors. theta energy: -105.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1595.361198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.361198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.361198 (E_RNA) where: Base-Base interactions energy: -996.659 where: short stacking energy: -471.840 Base-Backbone interact. energy: 3.385 local terms energy: -602.087013 where: bonds (distance) C4'-P energy: -135.864 bonds (distance) P-C4' energy: -129.866 flat angles C4'-P-C4' energy: -145.683 flat angles P-C4'-P energy: -84.572 tors. eta vs tors. theta energy: -106.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1305.754816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.754816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.754816 (E_RNA) where: Base-Base interactions energy: -809.940 where: short stacking energy: -381.027 Base-Backbone interact. energy: -4.399 local terms energy: -491.415204 where: bonds (distance) C4'-P energy: -113.019 bonds (distance) P-C4' energy: -134.611 flat angles C4'-P-C4' energy: -131.591 flat angles P-C4'-P energy: -67.054 tors. eta vs tors. theta energy: -45.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -875.067632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.067632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.067632 (E_RNA) where: Base-Base interactions energy: -421.809 where: short stacking energy: -240.874 Base-Backbone interact. energy: 1.691 local terms energy: -454.949100 where: bonds (distance) C4'-P energy: -136.278 bonds (distance) P-C4' energy: -138.049 flat angles C4'-P-C4' energy: -115.401 flat angles P-C4'-P energy: -56.517 tors. eta vs tors. theta energy: -8.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -734.538395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.538395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.538395 (E_RNA) where: Base-Base interactions energy: -344.686 where: short stacking energy: -201.429 Base-Backbone interact. energy: 1.302 local terms energy: -391.154951 where: bonds (distance) C4'-P energy: -110.170 bonds (distance) P-C4' energy: -132.364 flat angles C4'-P-C4' energy: -115.666 flat angles P-C4'-P energy: -42.217 tors. eta vs tors. theta energy: 9.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2567.272137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.272137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.272137 (E_RNA) where: Base-Base interactions energy: -1777.891 where: short stacking energy: -718.330 Base-Backbone interact. energy: 1.254 local terms energy: -790.635465 where: bonds (distance) C4'-P energy: -129.513 bonds (distance) P-C4' energy: -170.374 flat angles C4'-P-C4' energy: -160.168 flat angles P-C4'-P energy: -116.846 tors. eta vs tors. theta energy: -213.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2493.652043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.652043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.652043 (E_RNA) where: Base-Base interactions energy: -1689.212 where: short stacking energy: -748.230 Base-Backbone interact. energy: -2.843 local terms energy: -801.596667 where: bonds (distance) C4'-P energy: -142.891 bonds (distance) P-C4' energy: -150.108 flat angles C4'-P-C4' energy: -168.126 flat angles P-C4'-P energy: -110.297 tors. eta vs tors. theta energy: -230.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2316.414780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.414780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.414780 (E_RNA) where: Base-Base interactions energy: -1598.648 where: short stacking energy: -630.113 Base-Backbone interact. energy: -2.333 local terms energy: -715.434586 where: bonds (distance) C4'-P energy: -131.304 bonds (distance) P-C4' energy: -145.561 flat angles C4'-P-C4' energy: -169.208 flat angles P-C4'-P energy: -98.832 tors. eta vs tors. theta energy: -170.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2255.427594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.427594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.427594 (E_RNA) where: Base-Base interactions energy: -1521.953 where: short stacking energy: -642.414 Base-Backbone interact. energy: -2.594 local terms energy: -730.880789 where: bonds (distance) C4'-P energy: -140.120 bonds (distance) P-C4' energy: -132.897 flat angles C4'-P-C4' energy: -160.663 flat angles P-C4'-P energy: -107.870 tors. eta vs tors. theta energy: -189.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2067.913503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.913503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.913503 (E_RNA) where: Base-Base interactions energy: -1356.523 where: short stacking energy: -596.160 Base-Backbone interact. energy: -2.667 local terms energy: -708.722938 where: bonds (distance) C4'-P energy: -138.654 bonds (distance) P-C4' energy: -141.316 flat angles C4'-P-C4' energy: -155.105 flat angles P-C4'-P energy: -112.469 tors. eta vs tors. theta energy: -161.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1777.179584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.179584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.179584 (E_RNA) where: Base-Base interactions energy: -1164.851 where: short stacking energy: -488.916 Base-Backbone interact. energy: 0.919 local terms energy: -613.247770 where: bonds (distance) C4'-P energy: -131.563 bonds (distance) P-C4' energy: -150.829 flat angles C4'-P-C4' energy: -127.689 flat angles P-C4'-P energy: -83.341 tors. eta vs tors. theta energy: -119.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1560.578652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.578652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.578652 (E_RNA) where: Base-Base interactions energy: -991.523 where: short stacking energy: -442.624 Base-Backbone interact. energy: 0.714 local terms energy: -569.769981 where: bonds (distance) C4'-P energy: -129.544 bonds (distance) P-C4' energy: -143.387 flat angles C4'-P-C4' energy: -114.311 flat angles P-C4'-P energy: -80.744 tors. eta vs tors. theta energy: -101.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1314.599940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.599940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.599940 (E_RNA) where: Base-Base interactions energy: -805.851 where: short stacking energy: -368.283 Base-Backbone interact. energy: -0.845 local terms energy: -507.903441 where: bonds (distance) C4'-P energy: -116.889 bonds (distance) P-C4' energy: -114.564 flat angles C4'-P-C4' energy: -131.253 flat angles P-C4'-P energy: -74.706 tors. eta vs tors. theta energy: -70.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -888.925625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.925625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.925625 (E_RNA) where: Base-Base interactions energy: -456.059 where: short stacking energy: -252.680 Base-Backbone interact. energy: -0.114 local terms energy: -432.753082 where: bonds (distance) C4'-P energy: -105.492 bonds (distance) P-C4' energy: -134.237 flat angles C4'-P-C4' energy: -107.152 flat angles P-C4'-P energy: -79.937 tors. eta vs tors. theta energy: -5.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -770.223849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.223849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.223849 (E_RNA) where: Base-Base interactions energy: -401.706 where: short stacking energy: -214.856 Base-Backbone interact. energy: 2.317 local terms energy: -370.834888 where: bonds (distance) C4'-P energy: -93.805 bonds (distance) P-C4' energy: -125.548 flat angles C4'-P-C4' energy: -100.450 flat angles P-C4'-P energy: -63.969 tors. eta vs tors. theta energy: 12.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2556.137300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.137300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.137300 (E_RNA) where: Base-Base interactions energy: -1768.918 where: short stacking energy: -744.883 Base-Backbone interact. energy: -2.984 local terms energy: -784.235250 where: bonds (distance) C4'-P energy: -147.309 bonds (distance) P-C4' energy: -147.687 flat angles C4'-P-C4' energy: -155.734 flat angles P-C4'-P energy: -109.609 tors. eta vs tors. theta energy: -223.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2497.440824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.440824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.440824 (E_RNA) where: Base-Base interactions energy: -1685.448 where: short stacking energy: -774.950 Base-Backbone interact. energy: -4.495 local terms energy: -807.498697 where: bonds (distance) C4'-P energy: -152.266 bonds (distance) P-C4' energy: -146.826 flat angles C4'-P-C4' energy: -165.059 flat angles P-C4'-P energy: -117.490 tors. eta vs tors. theta energy: -225.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2347.756522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.756522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.756522 (E_RNA) where: Base-Base interactions energy: -1604.081 where: short stacking energy: -673.015 Base-Backbone interact. energy: -1.721 local terms energy: -741.954045 where: bonds (distance) C4'-P energy: -128.609 bonds (distance) P-C4' energy: -149.375 flat angles C4'-P-C4' energy: -158.601 flat angles P-C4'-P energy: -108.563 tors. eta vs tors. theta energy: -196.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2321.930084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.930084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.930084 (E_RNA) where: Base-Base interactions energy: -1605.224 where: short stacking energy: -652.202 Base-Backbone interact. energy: -0.948 local terms energy: -715.758096 where: bonds (distance) C4'-P energy: -136.375 bonds (distance) P-C4' energy: -137.988 flat angles C4'-P-C4' energy: -150.834 flat angles P-C4'-P energy: -101.967 tors. eta vs tors. theta energy: -188.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2021.895055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.895055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.895055 (E_RNA) where: Base-Base interactions energy: -1369.647 where: short stacking energy: -587.065 Base-Backbone interact. energy: -3.170 local terms energy: -649.078547 where: bonds (distance) C4'-P energy: -115.432 bonds (distance) P-C4' energy: -128.757 flat angles C4'-P-C4' energy: -149.420 flat angles P-C4'-P energy: -91.925 tors. eta vs tors. theta energy: -163.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1791.657366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.657366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.657366 (E_RNA) where: Base-Base interactions energy: -1203.137 where: short stacking energy: -551.724 Base-Backbone interact. energy: 6.790 local terms energy: -595.310075 where: bonds (distance) C4'-P energy: -122.631 bonds (distance) P-C4' energy: -116.854 flat angles C4'-P-C4' energy: -133.164 flat angles P-C4'-P energy: -93.727 tors. eta vs tors. theta energy: -128.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1504.151508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.151508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.151508 (E_RNA) where: Base-Base interactions energy: -952.334 where: short stacking energy: -420.722 Base-Backbone interact. energy: -0.735 local terms energy: -551.082151 where: bonds (distance) C4'-P energy: -125.184 bonds (distance) P-C4' energy: -131.779 flat angles C4'-P-C4' energy: -127.994 flat angles P-C4'-P energy: -74.988 tors. eta vs tors. theta energy: -91.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1360.211668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.211668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.211668 (E_RNA) where: Base-Base interactions energy: -844.101 where: short stacking energy: -367.544 Base-Backbone interact. energy: 7.879 local terms energy: -523.990070 where: bonds (distance) C4'-P energy: -119.052 bonds (distance) P-C4' energy: -142.486 flat angles C4'-P-C4' energy: -113.574 flat angles P-C4'-P energy: -95.457 tors. eta vs tors. theta energy: -53.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -887.879680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.879680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.879680 (E_RNA) where: Base-Base interactions energy: -446.905 where: short stacking energy: -260.247 Base-Backbone interact. energy: 0.940 local terms energy: -441.914801 where: bonds (distance) C4'-P energy: -115.439 bonds (distance) P-C4' energy: -110.101 flat angles C4'-P-C4' energy: -116.627 flat angles P-C4'-P energy: -68.863 tors. eta vs tors. theta energy: -30.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -817.670046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.670046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.670046 (E_RNA) where: Base-Base interactions energy: -416.424 where: short stacking energy: -237.167 Base-Backbone interact. energy: 0.107 local terms energy: -401.353006 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -116.088 flat angles C4'-P-C4' energy: -111.451 flat angles P-C4'-P energy: -55.245 tors. eta vs tors. theta energy: 11.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2610.861526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.861526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.861526 (E_RNA) where: Base-Base interactions energy: -1792.504 where: short stacking energy: -792.015 Base-Backbone interact. energy: -0.825 local terms energy: -817.531856 where: bonds (distance) C4'-P energy: -154.721 bonds (distance) P-C4' energy: -148.363 flat angles C4'-P-C4' energy: -169.972 flat angles P-C4'-P energy: -110.739 tors. eta vs tors. theta energy: -233.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2475.745532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.745532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.745532 (E_RNA) where: Base-Base interactions energy: -1689.109 where: short stacking energy: -752.101 Base-Backbone interact. energy: -0.015 local terms energy: -786.621627 where: bonds (distance) C4'-P energy: -144.821 bonds (distance) P-C4' energy: -152.943 flat angles C4'-P-C4' energy: -159.216 flat angles P-C4'-P energy: -107.558 tors. eta vs tors. theta energy: -222.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2360.127159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.127159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.127159 (E_RNA) where: Base-Base interactions energy: -1603.844 where: short stacking energy: -697.552 Base-Backbone interact. energy: -0.614 local terms energy: -755.669039 where: bonds (distance) C4'-P energy: -124.983 bonds (distance) P-C4' energy: -146.350 flat angles C4'-P-C4' energy: -166.827 flat angles P-C4'-P energy: -113.536 tors. eta vs tors. theta energy: -203.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2342.879865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.879865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.879865 (E_RNA) where: Base-Base interactions energy: -1634.576 where: short stacking energy: -701.438 Base-Backbone interact. energy: -2.642 local terms energy: -705.661676 where: bonds (distance) C4'-P energy: -112.619 bonds (distance) P-C4' energy: -147.449 flat angles C4'-P-C4' energy: -157.133 flat angles P-C4'-P energy: -93.922 tors. eta vs tors. theta energy: -194.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2073.961212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.961212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.961212 (E_RNA) where: Base-Base interactions energy: -1414.719 where: short stacking energy: -597.524 Base-Backbone interact. energy: -2.814 local terms energy: -656.428717 where: bonds (distance) C4'-P energy: -129.436 bonds (distance) P-C4' energy: -146.089 flat angles C4'-P-C4' energy: -141.145 flat angles P-C4'-P energy: -96.653 tors. eta vs tors. theta energy: -143.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1796.873981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.873981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.873981 (E_RNA) where: Base-Base interactions energy: -1190.605 where: short stacking energy: -517.056 Base-Backbone interact. energy: -1.927 local terms energy: -604.341827 where: bonds (distance) C4'-P energy: -120.339 bonds (distance) P-C4' energy: -142.670 flat angles C4'-P-C4' energy: -120.232 flat angles P-C4'-P energy: -81.862 tors. eta vs tors. theta energy: -139.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1450.967923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.967923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.967923 (E_RNA) where: Base-Base interactions energy: -892.503 where: short stacking energy: -422.235 Base-Backbone interact. energy: -3.683 local terms energy: -554.781467 where: bonds (distance) C4'-P energy: -133.552 bonds (distance) P-C4' energy: -135.347 flat angles C4'-P-C4' energy: -128.595 flat angles P-C4'-P energy: -75.919 tors. eta vs tors. theta energy: -81.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1353.950087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.950087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.950087 (E_RNA) where: Base-Base interactions energy: -846.274 where: short stacking energy: -391.675 Base-Backbone interact. energy: 0.451 local terms energy: -508.126602 where: bonds (distance) C4'-P energy: -123.210 bonds (distance) P-C4' energy: -133.571 flat angles C4'-P-C4' energy: -129.747 flat angles P-C4'-P energy: -51.672 tors. eta vs tors. theta energy: -69.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -895.304391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.304391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.304391 (E_RNA) where: Base-Base interactions energy: -459.776 where: short stacking energy: -259.496 Base-Backbone interact. energy: 1.093 local terms energy: -436.621523 where: bonds (distance) C4'-P energy: -110.328 bonds (distance) P-C4' energy: -125.147 flat angles C4'-P-C4' energy: -120.042 flat angles P-C4'-P energy: -76.606 tors. eta vs tors. theta energy: -4.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -736.678032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.678032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.678032 (E_RNA) where: Base-Base interactions energy: -334.471 where: short stacking energy: -178.732 Base-Backbone interact. energy: 2.662 local terms energy: -404.868550 where: bonds (distance) C4'-P energy: -138.858 bonds (distance) P-C4' energy: -128.029 flat angles C4'-P-C4' energy: -91.796 flat angles P-C4'-P energy: -63.267 tors. eta vs tors. theta energy: 17.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2617.899904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.899904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.899904 (E_RNA) where: Base-Base interactions energy: -1801.166 where: short stacking energy: -784.881 Base-Backbone interact. energy: -0.118 local terms energy: -816.616538 where: bonds (distance) C4'-P energy: -152.188 bonds (distance) P-C4' energy: -144.357 flat angles C4'-P-C4' energy: -175.638 flat angles P-C4'-P energy: -111.208 tors. eta vs tors. theta energy: -233.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2509.656024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.656024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.656024 (E_RNA) where: Base-Base interactions energy: -1690.562 where: short stacking energy: -773.907 Base-Backbone interact. energy: -3.044 local terms energy: -816.049947 where: bonds (distance) C4'-P energy: -146.527 bonds (distance) P-C4' energy: -151.904 flat angles C4'-P-C4' energy: -172.149 flat angles P-C4'-P energy: -107.613 tors. eta vs tors. theta energy: -237.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2374.755295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.755295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.755295 (E_RNA) where: Base-Base interactions energy: -1631.899 where: short stacking energy: -683.763 Base-Backbone interact. energy: -0.600 local terms energy: -742.257171 where: bonds (distance) C4'-P energy: -121.127 bonds (distance) P-C4' energy: -139.843 flat angles C4'-P-C4' energy: -165.521 flat angles P-C4'-P energy: -114.728 tors. eta vs tors. theta energy: -201.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2255.447155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.447155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.447155 (E_RNA) where: Base-Base interactions energy: -1570.023 where: short stacking energy: -650.138 Base-Backbone interact. energy: -0.234 local terms energy: -685.190440 where: bonds (distance) C4'-P energy: -124.541 bonds (distance) P-C4' energy: -146.622 flat angles C4'-P-C4' energy: -160.703 flat angles P-C4'-P energy: -90.561 tors. eta vs tors. theta energy: -162.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2043.171482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.171482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.171482 (E_RNA) where: Base-Base interactions energy: -1366.354 where: short stacking energy: -562.830 Base-Backbone interact. energy: 2.556 local terms energy: -679.373888 where: bonds (distance) C4'-P energy: -131.277 bonds (distance) P-C4' energy: -153.380 flat angles C4'-P-C4' energy: -153.374 flat angles P-C4'-P energy: -96.831 tors. eta vs tors. theta energy: -144.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1813.258858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.258858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.258858 (E_RNA) where: Base-Base interactions energy: -1194.559 where: short stacking energy: -516.090 Base-Backbone interact. energy: -1.763 local terms energy: -616.936784 where: bonds (distance) C4'-P energy: -107.452 bonds (distance) P-C4' energy: -151.586 flat angles C4'-P-C4' energy: -145.592 flat angles P-C4'-P energy: -93.483 tors. eta vs tors. theta energy: -118.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1492.729186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.729186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.729186 (E_RNA) where: Base-Base interactions energy: -932.704 where: short stacking energy: -443.377 Base-Backbone interact. energy: -1.387 local terms energy: -558.638319 where: bonds (distance) C4'-P energy: -127.332 bonds (distance) P-C4' energy: -128.826 flat angles C4'-P-C4' energy: -121.426 flat angles P-C4'-P energy: -82.068 tors. eta vs tors. theta energy: -98.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1312.207886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.207886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.207886 (E_RNA) where: Base-Base interactions energy: -824.759 where: short stacking energy: -361.858 Base-Backbone interact. energy: -1.647 local terms energy: -485.801754 where: bonds (distance) C4'-P energy: -91.290 bonds (distance) P-C4' energy: -117.567 flat angles C4'-P-C4' energy: -137.167 flat angles P-C4'-P energy: -65.973 tors. eta vs tors. theta energy: -73.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -964.632456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.632456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.632456 (E_RNA) where: Base-Base interactions energy: -533.029 where: short stacking energy: -259.229 Base-Backbone interact. energy: 7.638 local terms energy: -439.241449 where: bonds (distance) C4'-P energy: -120.273 bonds (distance) P-C4' energy: -123.372 flat angles C4'-P-C4' energy: -114.613 flat angles P-C4'-P energy: -66.729 tors. eta vs tors. theta energy: -14.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -748.604242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.604242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.604242 (E_RNA) where: Base-Base interactions energy: -358.206 where: short stacking energy: -209.145 Base-Backbone interact. energy: 2.455 local terms energy: -392.853860 where: bonds (distance) C4'-P energy: -103.784 bonds (distance) P-C4' energy: -140.238 flat angles C4'-P-C4' energy: -100.482 flat angles P-C4'-P energy: -47.854 tors. eta vs tors. theta energy: -0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2583.979288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.979288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.979288 (E_RNA) where: Base-Base interactions energy: -1783.076 where: short stacking energy: -750.431 Base-Backbone interact. energy: -1.934 local terms energy: -798.969017 where: bonds (distance) C4'-P energy: -148.423 bonds (distance) P-C4' energy: -139.335 flat angles C4'-P-C4' energy: -168.929 flat angles P-C4'-P energy: -117.643 tors. eta vs tors. theta energy: -224.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2515.143875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.143875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.143875 (E_RNA) where: Base-Base interactions energy: -1706.156 where: short stacking energy: -773.535 Base-Backbone interact. energy: -4.196 local terms energy: -804.791892 where: bonds (distance) C4'-P energy: -139.603 bonds (distance) P-C4' energy: -152.965 flat angles C4'-P-C4' energy: -165.210 flat angles P-C4'-P energy: -114.712 tors. eta vs tors. theta energy: -232.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2335.133764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.133764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.133764 (E_RNA) where: Base-Base interactions energy: -1582.891 where: short stacking energy: -701.670 Base-Backbone interact. energy: -2.264 local terms energy: -749.978543 where: bonds (distance) C4'-P energy: -140.042 bonds (distance) P-C4' energy: -155.405 flat angles C4'-P-C4' energy: -160.685 flat angles P-C4'-P energy: -102.632 tors. eta vs tors. theta energy: -191.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2232.683575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.683575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.683575 (E_RNA) where: Base-Base interactions energy: -1515.907 where: short stacking energy: -637.166 Base-Backbone interact. energy: -0.637 local terms energy: -716.412342 where: bonds (distance) C4'-P energy: -137.868 bonds (distance) P-C4' energy: -141.798 flat angles C4'-P-C4' energy: -167.884 flat angles P-C4'-P energy: -103.485 tors. eta vs tors. theta energy: -165.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.273 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2043.641605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.641605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.641605 (E_RNA) where: Base-Base interactions energy: -1391.993 where: short stacking energy: -597.476 Base-Backbone interact. energy: -5.955 local terms energy: -645.693624 where: bonds (distance) C4'-P energy: -131.032 bonds (distance) P-C4' energy: -117.030 flat angles C4'-P-C4' energy: -153.572 flat angles P-C4'-P energy: -91.390 tors. eta vs tors. theta energy: -152.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1784.640376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.640376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.640376 (E_RNA) where: Base-Base interactions energy: -1177.260 where: short stacking energy: -520.177 Base-Backbone interact. energy: -2.126 local terms energy: -605.255235 where: bonds (distance) C4'-P energy: -102.098 bonds (distance) P-C4' energy: -137.432 flat angles C4'-P-C4' energy: -156.178 flat angles P-C4'-P energy: -92.294 tors. eta vs tors. theta energy: -117.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1531.299710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.299710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.299710 (E_RNA) where: Base-Base interactions energy: -954.494 where: short stacking energy: -461.564 Base-Backbone interact. energy: 1.106 local terms energy: -577.912222 where: bonds (distance) C4'-P energy: -108.446 bonds (distance) P-C4' energy: -141.488 flat angles C4'-P-C4' energy: -123.079 flat angles P-C4'-P energy: -94.693 tors. eta vs tors. theta energy: -110.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1357.698100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.698100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.698100 (E_RNA) where: Base-Base interactions energy: -843.372 where: short stacking energy: -389.483 Base-Backbone interact. energy: 1.365 local terms energy: -515.690906 where: bonds (distance) C4'-P energy: -132.572 bonds (distance) P-C4' energy: -127.343 flat angles C4'-P-C4' energy: -105.753 flat angles P-C4'-P energy: -83.722 tors. eta vs tors. theta energy: -66.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -894.576301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.576301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.576301 (E_RNA) where: Base-Base interactions energy: -443.517 where: short stacking energy: -234.287 Base-Backbone interact. energy: -0.426 local terms energy: -450.633252 where: bonds (distance) C4'-P energy: -120.440 bonds (distance) P-C4' energy: -124.377 flat angles C4'-P-C4' energy: -112.325 flat angles P-C4'-P energy: -88.263 tors. eta vs tors. theta energy: -5.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -664.121268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.121268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.121268 (E_RNA) where: Base-Base interactions energy: -256.634 where: short stacking energy: -167.427 Base-Backbone interact. energy: 1.644 local terms energy: -409.131213 where: bonds (distance) C4'-P energy: -125.252 bonds (distance) P-C4' energy: -124.826 flat angles C4'-P-C4' energy: -101.766 flat angles P-C4'-P energy: -60.815 tors. eta vs tors. theta energy: 3.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2575.340046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.340046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.340046 (E_RNA) where: Base-Base interactions energy: -1726.078 where: short stacking energy: -777.846 Base-Backbone interact. energy: -6.419 local terms energy: -842.842330 where: bonds (distance) C4'-P energy: -149.424 bonds (distance) P-C4' energy: -139.419 flat angles C4'-P-C4' energy: -188.254 flat angles P-C4'-P energy: -129.058 tors. eta vs tors. theta energy: -236.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2544.073014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.073014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.073014 (E_RNA) where: Base-Base interactions energy: -1762.749 where: short stacking energy: -731.067 Base-Backbone interact. energy: -1.382 local terms energy: -779.942148 where: bonds (distance) C4'-P energy: -148.162 bonds (distance) P-C4' energy: -137.803 flat angles C4'-P-C4' energy: -169.394 flat angles P-C4'-P energy: -96.076 tors. eta vs tors. theta energy: -228.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2287.151513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.151513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.151513 (E_RNA) where: Base-Base interactions energy: -1527.712 where: short stacking energy: -677.251 Base-Backbone interact. energy: -4.519 local terms energy: -754.919773 where: bonds (distance) C4'-P energy: -137.879 bonds (distance) P-C4' energy: -161.068 flat angles C4'-P-C4' energy: -157.284 flat angles P-C4'-P energy: -107.196 tors. eta vs tors. theta energy: -191.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2233.820435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.820435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.820435 (E_RNA) where: Base-Base interactions energy: -1544.259 where: short stacking energy: -583.282 Base-Backbone interact. energy: -3.110 local terms energy: -686.450844 where: bonds (distance) C4'-P energy: -129.655 bonds (distance) P-C4' energy: -128.398 flat angles C4'-P-C4' energy: -159.680 flat angles P-C4'-P energy: -100.564 tors. eta vs tors. theta energy: -168.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2085.529941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.529941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.529941 (E_RNA) where: Base-Base interactions energy: -1410.131 where: short stacking energy: -621.413 Base-Backbone interact. energy: 3.796 local terms energy: -679.194745 where: bonds (distance) C4'-P energy: -132.523 bonds (distance) P-C4' energy: -140.654 flat angles C4'-P-C4' energy: -150.158 flat angles P-C4'-P energy: -91.248 tors. eta vs tors. theta energy: -164.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1768.288782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.288782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.288782 (E_RNA) where: Base-Base interactions energy: -1186.205 where: short stacking energy: -512.924 Base-Backbone interact. energy: -2.243 local terms energy: -579.840782 where: bonds (distance) C4'-P energy: -133.278 bonds (distance) P-C4' energy: -119.612 flat angles C4'-P-C4' energy: -135.684 flat angles P-C4'-P energy: -79.812 tors. eta vs tors. theta energy: -111.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1560.438588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.438588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.438588 (E_RNA) where: Base-Base interactions energy: -987.991 where: short stacking energy: -480.771 Base-Backbone interact. energy: 0.728 local terms energy: -573.175678 where: bonds (distance) C4'-P energy: -123.690 bonds (distance) P-C4' energy: -132.514 flat angles C4'-P-C4' energy: -137.003 flat angles P-C4'-P energy: -78.718 tors. eta vs tors. theta energy: -101.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1335.136881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.136881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.136881 (E_RNA) where: Base-Base interactions energy: -828.196 where: short stacking energy: -380.441 Base-Backbone interact. energy: -0.896 local terms energy: -506.045483 where: bonds (distance) C4'-P energy: -113.109 bonds (distance) P-C4' energy: -124.535 flat angles C4'-P-C4' energy: -120.946 flat angles P-C4'-P energy: -60.193 tors. eta vs tors. theta energy: -87.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -874.692810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.692810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.692810 (E_RNA) where: Base-Base interactions energy: -451.532 where: short stacking energy: -265.236 Base-Backbone interact. energy: 1.152 local terms energy: -424.312301 where: bonds (distance) C4'-P energy: -108.337 bonds (distance) P-C4' energy: -115.960 flat angles C4'-P-C4' energy: -106.026 flat angles P-C4'-P energy: -81.297 tors. eta vs tors. theta energy: -12.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -685.960649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.960649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.960649 (E_RNA) where: Base-Base interactions energy: -310.848 where: short stacking energy: -220.374 Base-Backbone interact. energy: -1.258 local terms energy: -373.854834 where: bonds (distance) C4'-P energy: -112.120 bonds (distance) P-C4' energy: -106.121 flat angles C4'-P-C4' energy: -89.225 flat angles P-C4'-P energy: -63.543 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2543.177527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.177527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.177527 (E_RNA) where: Base-Base interactions energy: -1723.589 where: short stacking energy: -787.403 Base-Backbone interact. energy: -2.291 local terms energy: -817.297202 where: bonds (distance) C4'-P energy: -139.769 bonds (distance) P-C4' energy: -150.100 flat angles C4'-P-C4' energy: -177.743 flat angles P-C4'-P energy: -117.438 tors. eta vs tors. theta energy: -232.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2533.171377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.171377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.171377 (E_RNA) where: Base-Base interactions energy: -1761.106 where: short stacking energy: -732.596 Base-Backbone interact. energy: -1.836 local terms energy: -770.230153 where: bonds (distance) C4'-P energy: -119.728 bonds (distance) P-C4' energy: -144.924 flat angles C4'-P-C4' energy: -160.517 flat angles P-C4'-P energy: -115.189 tors. eta vs tors. theta energy: -229.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2284.124352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.124352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.124352 (E_RNA) where: Base-Base interactions energy: -1547.951 where: short stacking energy: -664.019 Base-Backbone interact. energy: -1.674 local terms energy: -734.499573 where: bonds (distance) C4'-P energy: -130.177 bonds (distance) P-C4' energy: -158.741 flat angles C4'-P-C4' energy: -155.351 flat angles P-C4'-P energy: -110.472 tors. eta vs tors. theta energy: -179.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2285.461530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.461530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.461530 (E_RNA) where: Base-Base interactions energy: -1600.892 where: short stacking energy: -670.304 Base-Backbone interact. energy: -0.111 local terms energy: -684.458871 where: bonds (distance) C4'-P energy: -107.759 bonds (distance) P-C4' energy: -154.524 flat angles C4'-P-C4' energy: -161.693 flat angles P-C4'-P energy: -86.257 tors. eta vs tors. theta energy: -174.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2026.979227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.979227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.979227 (E_RNA) where: Base-Base interactions energy: -1365.849 where: short stacking energy: -577.231 Base-Backbone interact. energy: -1.617 local terms energy: -659.513166 where: bonds (distance) C4'-P energy: -124.396 bonds (distance) P-C4' energy: -141.010 flat angles C4'-P-C4' energy: -139.489 flat angles P-C4'-P energy: -95.555 tors. eta vs tors. theta energy: -159.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1765.652046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.652046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.652046 (E_RNA) where: Base-Base interactions energy: -1182.035 where: short stacking energy: -523.019 Base-Backbone interact. energy: -0.813 local terms energy: -582.803189 where: bonds (distance) C4'-P energy: -129.843 bonds (distance) P-C4' energy: -117.473 flat angles C4'-P-C4' energy: -131.407 flat angles P-C4'-P energy: -97.394 tors. eta vs tors. theta energy: -106.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1469.548057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.548057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.548057 (E_RNA) where: Base-Base interactions energy: -877.098 where: short stacking energy: -415.769 Base-Backbone interact. energy: 0.384 local terms energy: -592.834415 where: bonds (distance) C4'-P energy: -138.157 bonds (distance) P-C4' energy: -142.186 flat angles C4'-P-C4' energy: -139.027 flat angles P-C4'-P energy: -80.749 tors. eta vs tors. theta energy: -92.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1340.972340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.972340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.972340 (E_RNA) where: Base-Base interactions energy: -823.751 where: short stacking energy: -370.303 Base-Backbone interact. energy: 2.882 local terms energy: -520.103556 where: bonds (distance) C4'-P energy: -101.344 bonds (distance) P-C4' energy: -150.041 flat angles C4'-P-C4' energy: -116.131 flat angles P-C4'-P energy: -79.045 tors. eta vs tors. theta energy: -73.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -964.121582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.121582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.121582 (E_RNA) where: Base-Base interactions energy: -514.050 where: short stacking energy: -256.797 Base-Backbone interact. energy: -3.706 local terms energy: -446.365748 where: bonds (distance) C4'-P energy: -122.032 bonds (distance) P-C4' energy: -137.026 flat angles C4'-P-C4' energy: -106.002 flat angles P-C4'-P energy: -54.959 tors. eta vs tors. theta energy: -26.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -663.044644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.044644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.044644 (E_RNA) where: Base-Base interactions energy: -277.869 where: short stacking energy: -187.625 Base-Backbone interact. energy: 4.296 local terms energy: -389.472117 where: bonds (distance) C4'-P energy: -126.911 bonds (distance) P-C4' energy: -123.098 flat angles C4'-P-C4' energy: -112.496 flat angles P-C4'-P energy: -43.516 tors. eta vs tors. theta energy: 16.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2599.538092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.538092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.538092 (E_RNA) where: Base-Base interactions energy: -1807.701 where: short stacking energy: -765.627 Base-Backbone interact. energy: -0.323 local terms energy: -791.514141 where: bonds (distance) C4'-P energy: -134.156 bonds (distance) P-C4' energy: -130.718 flat angles C4'-P-C4' energy: -178.725 flat angles P-C4'-P energy: -110.707 tors. eta vs tors. theta energy: -237.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2499.021571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.021571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.021571 (E_RNA) where: Base-Base interactions energy: -1713.537 where: short stacking energy: -743.952 Base-Backbone interact. energy: -0.616 local terms energy: -784.868049 where: bonds (distance) C4'-P energy: -153.719 bonds (distance) P-C4' energy: -149.018 flat angles C4'-P-C4' energy: -166.749 flat angles P-C4'-P energy: -102.838 tors. eta vs tors. theta energy: -212.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2352.902038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.902038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.902038 (E_RNA) where: Base-Base interactions energy: -1612.502 where: short stacking energy: -655.515 Base-Backbone interact. energy: -0.999 local terms energy: -739.400968 where: bonds (distance) C4'-P energy: -148.279 bonds (distance) P-C4' energy: -144.892 flat angles C4'-P-C4' energy: -156.947 flat angles P-C4'-P energy: -103.548 tors. eta vs tors. theta energy: -185.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2237.275795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.275795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.275795 (E_RNA) where: Base-Base interactions energy: -1491.980 where: short stacking energy: -664.698 Base-Backbone interact. energy: 3.529 local terms energy: -748.825173 where: bonds (distance) C4'-P energy: -144.095 bonds (distance) P-C4' energy: -153.412 flat angles C4'-P-C4' energy: -157.516 flat angles P-C4'-P energy: -99.835 tors. eta vs tors. theta energy: -193.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2022.774426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.774426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.774426 (E_RNA) where: Base-Base interactions energy: -1373.371 where: short stacking energy: -615.381 Base-Backbone interact. energy: -0.877 local terms energy: -648.526534 where: bonds (distance) C4'-P energy: -119.882 bonds (distance) P-C4' energy: -127.396 flat angles C4'-P-C4' energy: -155.392 flat angles P-C4'-P energy: -88.778 tors. eta vs tors. theta energy: -157.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1732.410251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.410251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.410251 (E_RNA) where: Base-Base interactions energy: -1185.538 where: short stacking energy: -508.382 Base-Backbone interact. energy: 0.602 local terms energy: -547.473884 where: bonds (distance) C4'-P energy: -106.020 bonds (distance) P-C4' energy: -114.279 flat angles C4'-P-C4' energy: -129.210 flat angles P-C4'-P energy: -85.754 tors. eta vs tors. theta energy: -112.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1503.827463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.827463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.827463 (E_RNA) where: Base-Base interactions energy: -936.049 where: short stacking energy: -452.918 Base-Backbone interact. energy: -3.216 local terms energy: -564.562700 where: bonds (distance) C4'-P energy: -115.416 bonds (distance) P-C4' energy: -131.048 flat angles C4'-P-C4' energy: -151.148 flat angles P-C4'-P energy: -67.918 tors. eta vs tors. theta energy: -99.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1333.536065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.536065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.536065 (E_RNA) where: Base-Base interactions energy: -823.840 where: short stacking energy: -377.834 Base-Backbone interact. energy: 1.335 local terms energy: -515.748372 where: bonds (distance) C4'-P energy: -146.735 bonds (distance) P-C4' energy: -127.876 flat angles C4'-P-C4' energy: -127.905 flat angles P-C4'-P energy: -46.104 tors. eta vs tors. theta energy: -67.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 4.717 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -957.500438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.500438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.500438 (E_RNA) where: Base-Base interactions energy: -470.647 where: short stacking energy: -265.834 Base-Backbone interact. energy: 0.523 local terms energy: -487.376536 where: bonds (distance) C4'-P energy: -133.946 bonds (distance) P-C4' energy: -128.655 flat angles C4'-P-C4' energy: -123.185 flat angles P-C4'-P energy: -68.150 tors. eta vs tors. theta energy: -33.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -721.347692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.347692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.347692 (E_RNA) where: Base-Base interactions energy: -302.237 where: short stacking energy: -183.299 Base-Backbone interact. energy: -1.630 local terms energy: -417.481297 where: bonds (distance) C4'-P energy: -109.295 bonds (distance) P-C4' energy: -128.447 flat angles C4'-P-C4' energy: -118.600 flat angles P-C4'-P energy: -67.219 tors. eta vs tors. theta energy: 6.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2579.369865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.369865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.369865 (E_RNA) where: Base-Base interactions energy: -1778.240 where: short stacking energy: -762.163 Base-Backbone interact. energy: -0.298 local terms energy: -800.831467 where: bonds (distance) C4'-P energy: -145.601 bonds (distance) P-C4' energy: -150.694 flat angles C4'-P-C4' energy: -169.108 flat angles P-C4'-P energy: -111.090 tors. eta vs tors. theta energy: -224.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2485.916727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.916727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.916727 (E_RNA) where: Base-Base interactions energy: -1672.016 where: short stacking energy: -749.304 Base-Backbone interact. energy: -3.704 local terms energy: -810.196061 where: bonds (distance) C4'-P energy: -140.640 bonds (distance) P-C4' energy: -163.784 flat angles C4'-P-C4' energy: -171.498 flat angles P-C4'-P energy: -108.536 tors. eta vs tors. theta energy: -225.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2382.588023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.588023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.588023 (E_RNA) where: Base-Base interactions energy: -1650.307 where: short stacking energy: -707.091 Base-Backbone interact. energy: -1.569 local terms energy: -730.711806 where: bonds (distance) C4'-P energy: -127.879 bonds (distance) P-C4' energy: -130.626 flat angles C4'-P-C4' energy: -158.790 flat angles P-C4'-P energy: -116.695 tors. eta vs tors. theta energy: -196.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2222.384913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.384913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.384913 (E_RNA) where: Base-Base interactions energy: -1489.798 where: short stacking energy: -674.970 Base-Backbone interact. energy: -2.652 local terms energy: -729.934704 where: bonds (distance) C4'-P energy: -153.726 bonds (distance) P-C4' energy: -152.224 flat angles C4'-P-C4' energy: -143.564 flat angles P-C4'-P energy: -99.990 tors. eta vs tors. theta energy: -180.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2080.006997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.006997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.006997 (E_RNA) where: Base-Base interactions energy: -1420.320 where: short stacking energy: -619.509 Base-Backbone interact. energy: -1.207 local terms energy: -658.480391 where: bonds (distance) C4'-P energy: -120.157 bonds (distance) P-C4' energy: -132.634 flat angles C4'-P-C4' energy: -133.824 flat angles P-C4'-P energy: -103.159 tors. eta vs tors. theta energy: -168.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1763.942559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.942559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.942559 (E_RNA) where: Base-Base interactions energy: -1164.490 where: short stacking energy: -516.607 Base-Backbone interact. energy: -2.712 local terms energy: -596.740391 where: bonds (distance) C4'-P energy: -114.853 bonds (distance) P-C4' energy: -159.148 flat angles C4'-P-C4' energy: -135.032 flat angles P-C4'-P energy: -77.644 tors. eta vs tors. theta energy: -110.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1463.339378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.339378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.339378 (E_RNA) where: Base-Base interactions energy: -940.722 where: short stacking energy: -419.784 Base-Backbone interact. energy: -1.956 local terms energy: -520.660638 where: bonds (distance) C4'-P energy: -127.990 bonds (distance) P-C4' energy: -114.518 flat angles C4'-P-C4' energy: -131.029 flat angles P-C4'-P energy: -69.545 tors. eta vs tors. theta energy: -77.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1294.059170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.059170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.059170 (E_RNA) where: Base-Base interactions energy: -786.396 where: short stacking energy: -347.576 Base-Backbone interact. energy: 0.082 local terms energy: -507.745313 where: bonds (distance) C4'-P energy: -121.695 bonds (distance) P-C4' energy: -135.690 flat angles C4'-P-C4' energy: -126.406 flat angles P-C4'-P energy: -76.713 tors. eta vs tors. theta energy: -47.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -949.506392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.506392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.506392 (E_RNA) where: Base-Base interactions energy: -519.837 where: short stacking energy: -240.665 Base-Backbone interact. energy: -1.580 local terms energy: -428.089515 where: bonds (distance) C4'-P energy: -119.044 bonds (distance) P-C4' energy: -123.216 flat angles C4'-P-C4' energy: -98.111 flat angles P-C4'-P energy: -79.601 tors. eta vs tors. theta energy: -8.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -709.001930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.001930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.001930 (E_RNA) where: Base-Base interactions energy: -311.112 where: short stacking energy: -198.184 Base-Backbone interact. energy: -2.338 local terms energy: -395.551975 where: bonds (distance) C4'-P energy: -117.139 bonds (distance) P-C4' energy: -107.853 flat angles C4'-P-C4' energy: -103.373 flat angles P-C4'-P energy: -61.989 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2575.795368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.795368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.795368 (E_RNA) where: Base-Base interactions energy: -1754.242 where: short stacking energy: -756.126 Base-Backbone interact. energy: -1.715 local terms energy: -819.838232 where: bonds (distance) C4'-P energy: -159.227 bonds (distance) P-C4' energy: -156.995 flat angles C4'-P-C4' energy: -176.202 flat angles P-C4'-P energy: -103.065 tors. eta vs tors. theta energy: -224.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2482.786955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.786955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.786955 (E_RNA) where: Base-Base interactions energy: -1713.360 where: short stacking energy: -763.107 Base-Backbone interact. energy: -2.980 local terms energy: -766.446627 where: bonds (distance) C4'-P energy: -139.302 bonds (distance) P-C4' energy: -147.769 flat angles C4'-P-C4' energy: -152.367 flat angles P-C4'-P energy: -95.034 tors. eta vs tors. theta energy: -231.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2384.624257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.624257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.624257 (E_RNA) where: Base-Base interactions energy: -1629.079 where: short stacking energy: -700.836 Base-Backbone interact. energy: 2.790 local terms energy: -758.336191 where: bonds (distance) C4'-P energy: -137.234 bonds (distance) P-C4' energy: -150.157 flat angles C4'-P-C4' energy: -160.772 flat angles P-C4'-P energy: -111.517 tors. eta vs tors. theta energy: -198.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2209.867288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.867288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.867288 (E_RNA) where: Base-Base interactions energy: -1476.044 where: short stacking energy: -647.483 Base-Backbone interact. energy: -0.610 local terms energy: -733.213292 where: bonds (distance) C4'-P energy: -142.060 bonds (distance) P-C4' energy: -139.152 flat angles C4'-P-C4' energy: -159.774 flat angles P-C4'-P energy: -107.161 tors. eta vs tors. theta energy: -185.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2086.950725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.950725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.950725 (E_RNA) where: Base-Base interactions energy: -1400.774 where: short stacking energy: -590.222 Base-Backbone interact. energy: 1.289 local terms energy: -687.466079 where: bonds (distance) C4'-P energy: -152.663 bonds (distance) P-C4' energy: -149.444 flat angles C4'-P-C4' energy: -147.415 flat angles P-C4'-P energy: -87.553 tors. eta vs tors. theta energy: -150.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1793.334004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.334004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.334004 (E_RNA) where: Base-Base interactions energy: -1185.699 where: short stacking energy: -505.801 Base-Backbone interact. energy: -0.403 local terms energy: -607.232417 where: bonds (distance) C4'-P energy: -120.816 bonds (distance) P-C4' energy: -125.831 flat angles C4'-P-C4' energy: -143.189 flat angles P-C4'-P energy: -104.740 tors. eta vs tors. theta energy: -112.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1519.898540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.898540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.898540 (E_RNA) where: Base-Base interactions energy: -949.394 where: short stacking energy: -451.715 Base-Backbone interact. energy: 1.509 local terms energy: -572.013607 where: bonds (distance) C4'-P energy: -125.538 bonds (distance) P-C4' energy: -114.521 flat angles C4'-P-C4' energy: -144.014 flat angles P-C4'-P energy: -82.740 tors. eta vs tors. theta energy: -105.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1289.161816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.161816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.161816 (E_RNA) where: Base-Base interactions energy: -788.567 where: short stacking energy: -354.288 Base-Backbone interact. energy: -1.167 local terms energy: -499.428281 where: bonds (distance) C4'-P energy: -107.599 bonds (distance) P-C4' energy: -129.445 flat angles C4'-P-C4' energy: -124.872 flat angles P-C4'-P energy: -71.781 tors. eta vs tors. theta energy: -65.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -947.850157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.850157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.850157 (E_RNA) where: Base-Base interactions energy: -499.139 where: short stacking energy: -275.918 Base-Backbone interact. energy: 3.271 local terms energy: -451.982837 where: bonds (distance) C4'-P energy: -127.840 bonds (distance) P-C4' energy: -121.927 flat angles C4'-P-C4' energy: -106.948 flat angles P-C4'-P energy: -69.041 tors. eta vs tors. theta energy: -26.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -696.762346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.762346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.762346 (E_RNA) where: Base-Base interactions energy: -312.398 where: short stacking energy: -192.123 Base-Backbone interact. energy: 2.119 local terms energy: -386.483481 where: bonds (distance) C4'-P energy: -123.355 bonds (distance) P-C4' energy: -136.579 flat angles C4'-P-C4' energy: -85.513 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: 10.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2579.058941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.058941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.058941 (E_RNA) where: Base-Base interactions energy: -1766.187 where: short stacking energy: -763.182 Base-Backbone interact. energy: -1.075 local terms energy: -811.796853 where: bonds (distance) C4'-P energy: -143.639 bonds (distance) P-C4' energy: -142.834 flat angles C4'-P-C4' energy: -177.249 flat angles P-C4'-P energy: -125.465 tors. eta vs tors. theta energy: -222.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2490.102557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.102557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.102557 (E_RNA) where: Base-Base interactions energy: -1707.040 where: short stacking energy: -764.672 Base-Backbone interact. energy: -3.114 local terms energy: -779.948425 where: bonds (distance) C4'-P energy: -132.778 bonds (distance) P-C4' energy: -156.735 flat angles C4'-P-C4' energy: -163.918 flat angles P-C4'-P energy: -107.500 tors. eta vs tors. theta energy: -219.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2366.746552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.746552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.746552 (E_RNA) where: Base-Base interactions energy: -1649.395 where: short stacking energy: -690.834 Base-Backbone interact. energy: -0.786 local terms energy: -716.566426 where: bonds (distance) C4'-P energy: -139.265 bonds (distance) P-C4' energy: -143.483 flat angles C4'-P-C4' energy: -161.065 flat angles P-C4'-P energy: -89.687 tors. eta vs tors. theta energy: -183.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2228.927481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.927481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.927481 (E_RNA) where: Base-Base interactions energy: -1518.411 where: short stacking energy: -665.372 Base-Backbone interact. energy: -0.992 local terms energy: -709.524972 where: bonds (distance) C4'-P energy: -130.373 bonds (distance) P-C4' energy: -149.615 flat angles C4'-P-C4' energy: -157.407 flat angles P-C4'-P energy: -93.624 tors. eta vs tors. theta energy: -178.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2026.419654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.419654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.419654 (E_RNA) where: Base-Base interactions energy: -1353.519 where: short stacking energy: -593.265 Base-Backbone interact. energy: -2.792 local terms energy: -670.109326 where: bonds (distance) C4'-P energy: -115.323 bonds (distance) P-C4' energy: -142.421 flat angles C4'-P-C4' energy: -155.818 flat angles P-C4'-P energy: -95.858 tors. eta vs tors. theta energy: -160.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1794.377527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.377527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.377527 (E_RNA) where: Base-Base interactions energy: -1190.071 where: short stacking energy: -530.645 Base-Backbone interact. energy: -0.061 local terms energy: -604.245574 where: bonds (distance) C4'-P energy: -118.550 bonds (distance) P-C4' energy: -151.403 flat angles C4'-P-C4' energy: -144.994 flat angles P-C4'-P energy: -69.755 tors. eta vs tors. theta energy: -119.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1568.545497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.545497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.545497 (E_RNA) where: Base-Base interactions energy: -988.284 where: short stacking energy: -453.691 Base-Backbone interact. energy: -2.428 local terms energy: -577.833236 where: bonds (distance) C4'-P energy: -127.273 bonds (distance) P-C4' energy: -138.791 flat angles C4'-P-C4' energy: -138.012 flat angles P-C4'-P energy: -81.425 tors. eta vs tors. theta energy: -92.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1314.741803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.741803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.741803 (E_RNA) where: Base-Base interactions energy: -814.345 where: short stacking energy: -375.382 Base-Backbone interact. energy: 3.638 local terms energy: -504.035453 where: bonds (distance) C4'-P energy: -143.629 bonds (distance) P-C4' energy: -120.673 flat angles C4'-P-C4' energy: -112.068 flat angles P-C4'-P energy: -55.390 tors. eta vs tors. theta energy: -72.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -992.917274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.917274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.917274 (E_RNA) where: Base-Base interactions energy: -530.895 where: short stacking energy: -279.124 Base-Backbone interact. energy: 9.862 local terms energy: -471.884001 where: bonds (distance) C4'-P energy: -127.692 bonds (distance) P-C4' energy: -113.807 flat angles C4'-P-C4' energy: -114.969 flat angles P-C4'-P energy: -78.652 tors. eta vs tors. theta energy: -36.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -695.107125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.107125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.107125 (E_RNA) where: Base-Base interactions energy: -318.955 where: short stacking energy: -206.759 Base-Backbone interact. energy: 0.080 local terms energy: -376.232169 where: bonds (distance) C4'-P energy: -113.088 bonds (distance) P-C4' energy: -110.814 flat angles C4'-P-C4' energy: -125.333 flat angles P-C4'-P energy: -52.995 tors. eta vs tors. theta energy: 25.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2547.298232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.298232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.298232 (E_RNA) where: Base-Base interactions energy: -1741.886 where: short stacking energy: -766.775 Base-Backbone interact. energy: -2.307 local terms energy: -803.105434 where: bonds (distance) C4'-P energy: -147.670 bonds (distance) P-C4' energy: -132.000 flat angles C4'-P-C4' energy: -168.182 flat angles P-C4'-P energy: -125.943 tors. eta vs tors. theta energy: -229.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2544.191602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.191602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.191602 (E_RNA) where: Base-Base interactions energy: -1771.927 where: short stacking energy: -764.676 Base-Backbone interact. energy: 2.263 local terms energy: -774.527476 where: bonds (distance) C4'-P energy: -148.383 bonds (distance) P-C4' energy: -141.213 flat angles C4'-P-C4' energy: -166.852 flat angles P-C4'-P energy: -100.602 tors. eta vs tors. theta energy: -217.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2365.169613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.169613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.169613 (E_RNA) where: Base-Base interactions energy: -1644.549 where: short stacking energy: -686.243 Base-Backbone interact. energy: -1.523 local terms energy: -719.608975 where: bonds (distance) C4'-P energy: -122.179 bonds (distance) P-C4' energy: -132.423 flat angles C4'-P-C4' energy: -166.798 flat angles P-C4'-P energy: -101.510 tors. eta vs tors. theta energy: -196.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.511 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2236.797333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.797333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.797333 (E_RNA) where: Base-Base interactions energy: -1508.743 where: short stacking energy: -669.232 Base-Backbone interact. energy: 0.121 local terms energy: -728.175282 where: bonds (distance) C4'-P energy: -148.040 bonds (distance) P-C4' energy: -130.617 flat angles C4'-P-C4' energy: -160.036 flat angles P-C4'-P energy: -101.284 tors. eta vs tors. theta energy: -188.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2036.820575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.820575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.820575 (E_RNA) where: Base-Base interactions energy: -1381.473 where: short stacking energy: -607.305 Base-Backbone interact. energy: 3.042 local terms energy: -658.389638 where: bonds (distance) C4'-P energy: -136.358 bonds (distance) P-C4' energy: -139.188 flat angles C4'-P-C4' energy: -138.408 flat angles P-C4'-P energy: -85.311 tors. eta vs tors. theta energy: -159.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1819.567298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.567298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.567298 (E_RNA) where: Base-Base interactions energy: -1238.206 where: short stacking energy: -524.569 Base-Backbone interact. energy: -1.364 local terms energy: -579.997708 where: bonds (distance) C4'-P energy: -106.314 bonds (distance) P-C4' energy: -125.951 flat angles C4'-P-C4' energy: -140.759 flat angles P-C4'-P energy: -90.756 tors. eta vs tors. theta energy: -116.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1555.095567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.095567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.095567 (E_RNA) where: Base-Base interactions energy: -980.575 where: short stacking energy: -461.392 Base-Backbone interact. energy: -2.754 local terms energy: -571.766491 where: bonds (distance) C4'-P energy: -112.208 bonds (distance) P-C4' energy: -135.175 flat angles C4'-P-C4' energy: -132.844 flat angles P-C4'-P energy: -82.846 tors. eta vs tors. theta energy: -108.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1241.976838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.976838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.976838 (E_RNA) where: Base-Base interactions energy: -723.078 where: short stacking energy: -365.754 Base-Backbone interact. energy: 0.499 local terms energy: -519.397649 where: bonds (distance) C4'-P energy: -117.930 bonds (distance) P-C4' energy: -131.427 flat angles C4'-P-C4' energy: -121.844 flat angles P-C4'-P energy: -92.245 tors. eta vs tors. theta energy: -55.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -919.424920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.424920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.424920 (E_RNA) where: Base-Base interactions energy: -479.939 where: short stacking energy: -263.987 Base-Backbone interact. energy: 2.793 local terms energy: -442.278895 where: bonds (distance) C4'-P energy: -130.934 bonds (distance) P-C4' energy: -120.491 flat angles C4'-P-C4' energy: -117.148 flat angles P-C4'-P energy: -52.148 tors. eta vs tors. theta energy: -21.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -674.698845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.698845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.698845 (E_RNA) where: Base-Base interactions energy: -311.534 where: short stacking energy: -186.037 Base-Backbone interact. energy: 0.718 local terms energy: -363.882585 where: bonds (distance) C4'-P energy: -119.232 bonds (distance) P-C4' energy: -122.591 flat angles C4'-P-C4' energy: -104.478 flat angles P-C4'-P energy: -44.075 tors. eta vs tors. theta energy: 26.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2540.255501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.255501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.255501 (E_RNA) where: Base-Base interactions energy: -1699.528 where: short stacking energy: -757.341 Base-Backbone interact. energy: -1.962 local terms energy: -838.766250 where: bonds (distance) C4'-P energy: -154.703 bonds (distance) P-C4' energy: -151.260 flat angles C4'-P-C4' energy: -175.810 flat angles P-C4'-P energy: -129.545 tors. eta vs tors. theta energy: -227.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2527.975337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.975337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.975337 (E_RNA) where: Base-Base interactions energy: -1750.924 where: short stacking energy: -732.016 Base-Backbone interact. energy: -5.410 local terms energy: -771.641665 where: bonds (distance) C4'-P energy: -137.480 bonds (distance) P-C4' energy: -154.916 flat angles C4'-P-C4' energy: -159.732 flat angles P-C4'-P energy: -103.033 tors. eta vs tors. theta energy: -216.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2380.189442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.189442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.189442 (E_RNA) where: Base-Base interactions energy: -1641.061 where: short stacking energy: -695.233 Base-Backbone interact. energy: 2.501 local terms energy: -741.629260 where: bonds (distance) C4'-P energy: -144.485 bonds (distance) P-C4' energy: -146.139 flat angles C4'-P-C4' energy: -145.222 flat angles P-C4'-P energy: -107.333 tors. eta vs tors. theta energy: -198.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2278.837791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.837791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.837791 (E_RNA) where: Base-Base interactions energy: -1547.604 where: short stacking energy: -704.496 Base-Backbone interact. energy: 0.382 local terms energy: -731.615078 where: bonds (distance) C4'-P energy: -132.918 bonds (distance) P-C4' energy: -138.275 flat angles C4'-P-C4' energy: -162.810 flat angles P-C4'-P energy: -108.294 tors. eta vs tors. theta energy: -189.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2061.829614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.829614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.829614 (E_RNA) where: Base-Base interactions energy: -1386.287 where: short stacking energy: -587.909 Base-Backbone interact. energy: 2.568 local terms energy: -678.110010 where: bonds (distance) C4'-P energy: -139.790 bonds (distance) P-C4' energy: -131.899 flat angles C4'-P-C4' energy: -148.029 flat angles P-C4'-P energy: -100.713 tors. eta vs tors. theta energy: -157.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1797.343005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.343005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.343005 (E_RNA) where: Base-Base interactions energy: -1198.887 where: short stacking energy: -530.355 Base-Backbone interact. energy: -3.965 local terms energy: -594.491053 where: bonds (distance) C4'-P energy: -123.535 bonds (distance) P-C4' energy: -129.481 flat angles C4'-P-C4' energy: -124.682 flat angles P-C4'-P energy: -83.894 tors. eta vs tors. theta energy: -132.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1537.640809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.640809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.640809 (E_RNA) where: Base-Base interactions energy: -975.912 where: short stacking energy: -455.700 Base-Backbone interact. energy: -2.557 local terms energy: -559.172154 where: bonds (distance) C4'-P energy: -102.113 bonds (distance) P-C4' energy: -132.382 flat angles C4'-P-C4' energy: -144.437 flat angles P-C4'-P energy: -74.436 tors. eta vs tors. theta energy: -105.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1326.637897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.637897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.637897 (E_RNA) where: Base-Base interactions energy: -822.692 where: short stacking energy: -402.966 Base-Backbone interact. energy: -1.726 local terms energy: -502.220298 where: bonds (distance) C4'-P energy: -122.819 bonds (distance) P-C4' energy: -140.898 flat angles C4'-P-C4' energy: -108.532 flat angles P-C4'-P energy: -56.910 tors. eta vs tors. theta energy: -73.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -919.065597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.065597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.065597 (E_RNA) where: Base-Base interactions energy: -488.089 where: short stacking energy: -271.160 Base-Backbone interact. energy: 7.611 local terms energy: -438.588198 where: bonds (distance) C4'-P energy: -110.376 bonds (distance) P-C4' energy: -143.040 flat angles C4'-P-C4' energy: -107.725 flat angles P-C4'-P energy: -59.114 tors. eta vs tors. theta energy: -18.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -713.169382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.169382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.169382 (E_RNA) where: Base-Base interactions energy: -318.290 where: short stacking energy: -194.761 Base-Backbone interact. energy: -3.373 local terms energy: -391.506202 where: bonds (distance) C4'-P energy: -125.780 bonds (distance) P-C4' energy: -107.288 flat angles C4'-P-C4' energy: -98.041 flat angles P-C4'-P energy: -68.365 tors. eta vs tors. theta energy: 7.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2550.010383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.010383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.010383 (E_RNA) where: Base-Base interactions energy: -1716.467 where: short stacking energy: -789.098 Base-Backbone interact. energy: -4.223 local terms energy: -829.320451 where: bonds (distance) C4'-P energy: -144.216 bonds (distance) P-C4' energy: -152.698 flat angles C4'-P-C4' energy: -181.791 flat angles P-C4'-P energy: -123.287 tors. eta vs tors. theta energy: -227.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2524.584281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.584281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.584281 (E_RNA) where: Base-Base interactions energy: -1721.942 where: short stacking energy: -734.751 Base-Backbone interact. energy: -1.341 local terms energy: -801.301153 where: bonds (distance) C4'-P energy: -146.026 bonds (distance) P-C4' energy: -161.432 flat angles C4'-P-C4' energy: -166.057 flat angles P-C4'-P energy: -110.305 tors. eta vs tors. theta energy: -217.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2380.012222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.012222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.012222 (E_RNA) where: Base-Base interactions energy: -1640.862 where: short stacking energy: -689.149 Base-Backbone interact. energy: 0.047 local terms energy: -739.197574 where: bonds (distance) C4'-P energy: -135.957 bonds (distance) P-C4' energy: -138.231 flat angles C4'-P-C4' energy: -154.527 flat angles P-C4'-P energy: -120.033 tors. eta vs tors. theta energy: -190.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2272.077065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.077065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.077065 (E_RNA) where: Base-Base interactions energy: -1540.007 where: short stacking energy: -694.426 Base-Backbone interact. energy: -2.576 local terms energy: -729.493949 where: bonds (distance) C4'-P energy: -131.929 bonds (distance) P-C4' energy: -133.319 flat angles C4'-P-C4' energy: -159.982 flat angles P-C4'-P energy: -101.100 tors. eta vs tors. theta energy: -203.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2064.002738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.002738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.002738 (E_RNA) where: Base-Base interactions energy: -1406.686 where: short stacking energy: -614.215 Base-Backbone interact. energy: -0.668 local terms energy: -656.649401 where: bonds (distance) C4'-P energy: -124.206 bonds (distance) P-C4' energy: -138.860 flat angles C4'-P-C4' energy: -147.972 flat angles P-C4'-P energy: -86.995 tors. eta vs tors. theta energy: -158.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1804.565685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.565685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.565685 (E_RNA) where: Base-Base interactions energy: -1164.625 where: short stacking energy: -510.909 Base-Backbone interact. energy: -0.803 local terms energy: -639.136931 where: bonds (distance) C4'-P energy: -130.406 bonds (distance) P-C4' energy: -144.468 flat angles C4'-P-C4' energy: -150.053 flat angles P-C4'-P energy: -75.583 tors. eta vs tors. theta energy: -138.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1571.728203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.728203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.728203 (E_RNA) where: Base-Base interactions energy: -999.510 where: short stacking energy: -473.932 Base-Backbone interact. energy: -1.017 local terms energy: -571.200981 where: bonds (distance) C4'-P energy: -112.515 bonds (distance) P-C4' energy: -125.341 flat angles C4'-P-C4' energy: -152.670 flat angles P-C4'-P energy: -70.318 tors. eta vs tors. theta energy: -110.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1294.149155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.149155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.149155 (E_RNA) where: Base-Base interactions energy: -780.237 where: short stacking energy: -386.076 Base-Backbone interact. energy: -2.896 local terms energy: -511.016856 where: bonds (distance) C4'-P energy: -116.557 bonds (distance) P-C4' energy: -127.437 flat angles C4'-P-C4' energy: -111.214 flat angles P-C4'-P energy: -81.593 tors. eta vs tors. theta energy: -74.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -979.643656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.643656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.643656 (E_RNA) where: Base-Base interactions energy: -512.606 where: short stacking energy: -280.846 Base-Backbone interact. energy: 1.501 local terms energy: -469.681886 where: bonds (distance) C4'-P energy: -130.035 bonds (distance) P-C4' energy: -124.268 flat angles C4'-P-C4' energy: -105.116 flat angles P-C4'-P energy: -84.958 tors. eta vs tors. theta energy: -25.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.143 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -665.576515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.576515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.576515 (E_RNA) where: Base-Base interactions energy: -272.578 where: short stacking energy: -175.014 Base-Backbone interact. energy: -1.797 local terms energy: -391.201685 where: bonds (distance) C4'-P energy: -107.572 bonds (distance) P-C4' energy: -147.891 flat angles C4'-P-C4' energy: -96.478 flat angles P-C4'-P energy: -53.617 tors. eta vs tors. theta energy: 14.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2559.898740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.898740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.898740 (E_RNA) where: Base-Base interactions energy: -1750.718 where: short stacking energy: -785.525 Base-Backbone interact. energy: -4.534 local terms energy: -804.646655 where: bonds (distance) C4'-P energy: -149.988 bonds (distance) P-C4' energy: -139.659 flat angles C4'-P-C4' energy: -172.921 flat angles P-C4'-P energy: -113.074 tors. eta vs tors. theta energy: -229.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2498.074763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.074763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.074763 (E_RNA) where: Base-Base interactions energy: -1710.997 where: short stacking energy: -728.153 Base-Backbone interact. energy: -1.852 local terms energy: -785.225099 where: bonds (distance) C4'-P energy: -144.476 bonds (distance) P-C4' energy: -157.580 flat angles C4'-P-C4' energy: -169.374 flat angles P-C4'-P energy: -109.703 tors. eta vs tors. theta energy: -204.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2391.257559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.257559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.257559 (E_RNA) where: Base-Base interactions energy: -1668.407 where: short stacking energy: -685.300 Base-Backbone interact. energy: 1.658 local terms energy: -724.508787 where: bonds (distance) C4'-P energy: -123.290 bonds (distance) P-C4' energy: -148.427 flat angles C4'-P-C4' energy: -157.141 flat angles P-C4'-P energy: -94.482 tors. eta vs tors. theta energy: -201.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2295.688929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.688929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.688929 (E_RNA) where: Base-Base interactions energy: -1584.638 where: short stacking energy: -668.317 Base-Backbone interact. energy: -1.689 local terms energy: -709.362485 where: bonds (distance) C4'-P energy: -144.379 bonds (distance) P-C4' energy: -149.278 flat angles C4'-P-C4' energy: -155.701 flat angles P-C4'-P energy: -84.150 tors. eta vs tors. theta energy: -175.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2111.450969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.450969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.450969 (E_RNA) where: Base-Base interactions energy: -1428.881 where: short stacking energy: -601.781 Base-Backbone interact. energy: -4.293 local terms energy: -678.277118 where: bonds (distance) C4'-P energy: -133.038 bonds (distance) P-C4' energy: -126.617 flat angles C4'-P-C4' energy: -141.158 flat angles P-C4'-P energy: -107.220 tors. eta vs tors. theta energy: -170.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1844.203432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.203432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.203432 (E_RNA) where: Base-Base interactions energy: -1231.453 where: short stacking energy: -535.633 Base-Backbone interact. energy: -1.596 local terms energy: -611.154987 where: bonds (distance) C4'-P energy: -105.218 bonds (distance) P-C4' energy: -135.129 flat angles C4'-P-C4' energy: -143.227 flat angles P-C4'-P energy: -88.348 tors. eta vs tors. theta energy: -139.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1489.764436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.764436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.764436 (E_RNA) where: Base-Base interactions energy: -939.637 where: short stacking energy: -436.894 Base-Backbone interact. energy: -2.152 local terms energy: -547.975301 where: bonds (distance) C4'-P energy: -117.306 bonds (distance) P-C4' energy: -126.869 flat angles C4'-P-C4' energy: -139.236 flat angles P-C4'-P energy: -77.897 tors. eta vs tors. theta energy: -86.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1249.497673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.497673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.497673 (E_RNA) where: Base-Base interactions energy: -766.994 where: short stacking energy: -331.175 Base-Backbone interact. energy: -2.135 local terms energy: -480.368944 where: bonds (distance) C4'-P energy: -106.013 bonds (distance) P-C4' energy: -127.199 flat angles C4'-P-C4' energy: -120.506 flat angles P-C4'-P energy: -77.405 tors. eta vs tors. theta energy: -49.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -910.238731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.238731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.238731 (E_RNA) where: Base-Base interactions energy: -473.460 where: short stacking energy: -248.534 Base-Backbone interact. energy: -2.627 local terms energy: -435.086433 where: bonds (distance) C4'-P energy: -131.079 bonds (distance) P-C4' energy: -136.076 flat angles C4'-P-C4' energy: -107.957 flat angles P-C4'-P energy: -60.582 tors. eta vs tors. theta energy: 0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.934 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -636.741525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.741525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.741525 (E_RNA) where: Base-Base interactions energy: -277.566 where: short stacking energy: -191.815 Base-Backbone interact. energy: 6.419 local terms energy: -365.594786 where: bonds (distance) C4'-P energy: -111.329 bonds (distance) P-C4' energy: -135.025 flat angles C4'-P-C4' energy: -103.856 flat angles P-C4'-P energy: -39.201 tors. eta vs tors. theta energy: 23.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2571.777204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.777204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.777204 (E_RNA) where: Base-Base interactions energy: -1768.740 where: short stacking energy: -738.947 Base-Backbone interact. energy: -3.765 local terms energy: -799.271825 where: bonds (distance) C4'-P energy: -154.937 bonds (distance) P-C4' energy: -146.537 flat angles C4'-P-C4' energy: -170.483 flat angles P-C4'-P energy: -97.176 tors. eta vs tors. theta energy: -230.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2466.654141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.654141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.654141 (E_RNA) where: Base-Base interactions energy: -1687.360 where: short stacking energy: -728.469 Base-Backbone interact. energy: 0.078 local terms energy: -779.372780 where: bonds (distance) C4'-P energy: -132.503 bonds (distance) P-C4' energy: -140.417 flat angles C4'-P-C4' energy: -172.353 flat angles P-C4'-P energy: -117.450 tors. eta vs tors. theta energy: -216.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2396.822421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.822421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.822421 (E_RNA) where: Base-Base interactions energy: -1661.054 where: short stacking energy: -691.732 Base-Backbone interact. energy: 0.219 local terms energy: -735.987702 where: bonds (distance) C4'-P energy: -145.191 bonds (distance) P-C4' energy: -137.836 flat angles C4'-P-C4' energy: -161.188 flat angles P-C4'-P energy: -88.099 tors. eta vs tors. theta energy: -203.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2299.608746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.608746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.608746 (E_RNA) where: Base-Base interactions energy: -1555.358 where: short stacking energy: -660.654 Base-Backbone interact. energy: -3.041 local terms energy: -741.209737 where: bonds (distance) C4'-P energy: -129.515 bonds (distance) P-C4' energy: -156.078 flat angles C4'-P-C4' energy: -165.282 flat angles P-C4'-P energy: -101.409 tors. eta vs tors. theta energy: -188.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2056.491546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.491546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.491546 (E_RNA) where: Base-Base interactions energy: -1390.346 where: short stacking energy: -608.150 Base-Backbone interact. energy: 3.608 local terms energy: -669.753241 where: bonds (distance) C4'-P energy: -146.299 bonds (distance) P-C4' energy: -123.083 flat angles C4'-P-C4' energy: -142.120 flat angles P-C4'-P energy: -103.842 tors. eta vs tors. theta energy: -154.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1841.850158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.850158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.850158 (E_RNA) where: Base-Base interactions energy: -1223.841 where: short stacking energy: -545.241 Base-Backbone interact. energy: 4.019 local terms energy: -622.027720 where: bonds (distance) C4'-P energy: -124.430 bonds (distance) P-C4' energy: -129.324 flat angles C4'-P-C4' energy: -138.711 flat angles P-C4'-P energy: -92.309 tors. eta vs tors. theta energy: -137.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1471.640861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.640861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.640861 (E_RNA) where: Base-Base interactions energy: -922.989 where: short stacking energy: -414.584 Base-Backbone interact. energy: -2.043 local terms energy: -546.608710 where: bonds (distance) C4'-P energy: -131.034 bonds (distance) P-C4' energy: -130.988 flat angles C4'-P-C4' energy: -132.915 flat angles P-C4'-P energy: -72.008 tors. eta vs tors. theta energy: -79.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1216.618202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.618202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.618202 (E_RNA) where: Base-Base interactions energy: -718.083 where: short stacking energy: -336.192 Base-Backbone interact. energy: -0.576 local terms energy: -497.958959 where: bonds (distance) C4'-P energy: -120.854 bonds (distance) P-C4' energy: -134.157 flat angles C4'-P-C4' energy: -128.749 flat angles P-C4'-P energy: -70.179 tors. eta vs tors. theta energy: -44.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -972.357415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.357415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.357415 (E_RNA) where: Base-Base interactions energy: -517.279 where: short stacking energy: -248.114 Base-Backbone interact. energy: 6.847 local terms energy: -461.924863 where: bonds (distance) C4'-P energy: -129.025 bonds (distance) P-C4' energy: -126.424 flat angles C4'-P-C4' energy: -113.624 flat angles P-C4'-P energy: -63.946 tors. eta vs tors. theta energy: -28.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -672.552311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.552311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.552311 (E_RNA) where: Base-Base interactions energy: -313.432 where: short stacking energy: -210.437 Base-Backbone interact. energy: 1.069 local terms energy: -360.189831 where: bonds (distance) C4'-P energy: -104.299 bonds (distance) P-C4' energy: -122.916 flat angles C4'-P-C4' energy: -86.141 flat angles P-C4'-P energy: -77.559 tors. eta vs tors. theta energy: 30.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2589.506463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.506463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.506463 (E_RNA) where: Base-Base interactions energy: -1792.787 where: short stacking energy: -768.823 Base-Backbone interact. energy: -1.788 local terms energy: -794.931461 where: bonds (distance) C4'-P energy: -138.973 bonds (distance) P-C4' energy: -152.579 flat angles C4'-P-C4' energy: -167.522 flat angles P-C4'-P energy: -103.132 tors. eta vs tors. theta energy: -232.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2457.857008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.857008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.857008 (E_RNA) where: Base-Base interactions energy: -1662.346 where: short stacking energy: -746.337 Base-Backbone interact. energy: -1.151 local terms energy: -794.359763 where: bonds (distance) C4'-P energy: -148.468 bonds (distance) P-C4' energy: -136.566 flat angles C4'-P-C4' energy: -183.129 flat angles P-C4'-P energy: -120.056 tors. eta vs tors. theta energy: -206.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2343.687774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.687774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.687774 (E_RNA) where: Base-Base interactions energy: -1633.613 where: short stacking energy: -661.430 Base-Backbone interact. energy: 0.861 local terms energy: -710.936094 where: bonds (distance) C4'-P energy: -132.970 bonds (distance) P-C4' energy: -136.775 flat angles C4'-P-C4' energy: -156.534 flat angles P-C4'-P energy: -100.194 tors. eta vs tors. theta energy: -184.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2282.551162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.551162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.551162 (E_RNA) where: Base-Base interactions energy: -1535.416 where: short stacking energy: -662.015 Base-Backbone interact. energy: -3.125 local terms energy: -744.009490 where: bonds (distance) C4'-P energy: -146.816 bonds (distance) P-C4' energy: -141.582 flat angles C4'-P-C4' energy: -153.164 flat angles P-C4'-P energy: -111.317 tors. eta vs tors. theta energy: -191.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2018.996100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.996100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.996100 (E_RNA) where: Base-Base interactions energy: -1361.610 where: short stacking energy: -575.383 Base-Backbone interact. energy: -0.257 local terms energy: -657.128761 where: bonds (distance) C4'-P energy: -130.694 bonds (distance) P-C4' energy: -141.264 flat angles C4'-P-C4' energy: -150.290 flat angles P-C4'-P energy: -92.597 tors. eta vs tors. theta energy: -142.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1847.118982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.118982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.118982 (E_RNA) where: Base-Base interactions energy: -1239.589 where: short stacking energy: -556.533 Base-Backbone interact. energy: 10.916 local terms energy: -618.446330 where: bonds (distance) C4'-P energy: -132.133 bonds (distance) P-C4' energy: -106.773 flat angles C4'-P-C4' energy: -155.791 flat angles P-C4'-P energy: -90.486 tors. eta vs tors. theta energy: -133.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1499.037723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.037723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.037723 (E_RNA) where: Base-Base interactions energy: -948.244 where: short stacking energy: -446.342 Base-Backbone interact. energy: 3.595 local terms energy: -554.389223 where: bonds (distance) C4'-P energy: -108.194 bonds (distance) P-C4' energy: -134.484 flat angles C4'-P-C4' energy: -130.692 flat angles P-C4'-P energy: -83.717 tors. eta vs tors. theta energy: -97.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1256.149524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.149524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.149524 (E_RNA) where: Base-Base interactions energy: -777.278 where: short stacking energy: -375.129 Base-Backbone interact. energy: 0.330 local terms energy: -479.202222 where: bonds (distance) C4'-P energy: -119.809 bonds (distance) P-C4' energy: -121.895 flat angles C4'-P-C4' energy: -128.441 flat angles P-C4'-P energy: -59.408 tors. eta vs tors. theta energy: -49.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1080.412214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.412214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.412214 (E_RNA) where: Base-Base interactions energy: -609.269 where: short stacking energy: -324.439 Base-Backbone interact. energy: -2.353 local terms energy: -468.790144 where: bonds (distance) C4'-P energy: -100.386 bonds (distance) P-C4' energy: -146.903 flat angles C4'-P-C4' energy: -125.336 flat angles P-C4'-P energy: -60.231 tors. eta vs tors. theta energy: -35.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -698.755002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.755002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.755002 (E_RNA) where: Base-Base interactions energy: -283.376 where: short stacking energy: -181.111 Base-Backbone interact. energy: -0.327 local terms energy: -415.051961 where: bonds (distance) C4'-P energy: -124.949 bonds (distance) P-C4' energy: -138.966 flat angles C4'-P-C4' energy: -89.085 flat angles P-C4'-P energy: -66.077 tors. eta vs tors. theta energy: 4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2598.221493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.221493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.221493 (E_RNA) where: Base-Base interactions energy: -1773.582 where: short stacking energy: -758.568 Base-Backbone interact. energy: 0.983 local terms energy: -825.622039 where: bonds (distance) C4'-P energy: -145.751 bonds (distance) P-C4' energy: -162.110 flat angles C4'-P-C4' energy: -164.346 flat angles P-C4'-P energy: -125.756 tors. eta vs tors. theta energy: -227.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2475.539542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.539542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.539542 (E_RNA) where: Base-Base interactions energy: -1692.024 where: short stacking energy: -740.516 Base-Backbone interact. energy: -2.309 local terms energy: -781.206493 where: bonds (distance) C4'-P energy: -127.829 bonds (distance) P-C4' energy: -159.192 flat angles C4'-P-C4' energy: -163.313 flat angles P-C4'-P energy: -111.498 tors. eta vs tors. theta energy: -219.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2394.839184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.839184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.839184 (E_RNA) where: Base-Base interactions energy: -1627.849 where: short stacking energy: -666.184 Base-Backbone interact. energy: -0.736 local terms energy: -766.254369 where: bonds (distance) C4'-P energy: -149.115 bonds (distance) P-C4' energy: -152.097 flat angles C4'-P-C4' energy: -166.171 flat angles P-C4'-P energy: -116.913 tors. eta vs tors. theta energy: -181.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2298.243156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.243156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.243156 (E_RNA) where: Base-Base interactions energy: -1569.680 where: short stacking energy: -691.383 Base-Backbone interact. energy: -3.647 local terms energy: -724.916439 where: bonds (distance) C4'-P energy: -140.653 bonds (distance) P-C4' energy: -144.531 flat angles C4'-P-C4' energy: -155.402 flat angles P-C4'-P energy: -101.553 tors. eta vs tors. theta energy: -182.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2027.806786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.806786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.806786 (E_RNA) where: Base-Base interactions energy: -1344.088 where: short stacking energy: -578.430 Base-Backbone interact. energy: -2.844 local terms energy: -680.875324 where: bonds (distance) C4'-P energy: -136.190 bonds (distance) P-C4' energy: -138.616 flat angles C4'-P-C4' energy: -151.234 flat angles P-C4'-P energy: -100.395 tors. eta vs tors. theta energy: -154.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1848.622516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.622516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.622516 (E_RNA) where: Base-Base interactions energy: -1245.445 where: short stacking energy: -551.553 Base-Backbone interact. energy: -0.438 local terms energy: -602.739071 where: bonds (distance) C4'-P energy: -128.101 bonds (distance) P-C4' energy: -126.401 flat angles C4'-P-C4' energy: -129.834 flat angles P-C4'-P energy: -83.728 tors. eta vs tors. theta energy: -134.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1497.650367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.650367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.650367 (E_RNA) where: Base-Base interactions energy: -940.149 where: short stacking energy: -434.072 Base-Backbone interact. energy: -1.260 local terms energy: -556.241962 where: bonds (distance) C4'-P energy: -118.653 bonds (distance) P-C4' energy: -149.158 flat angles C4'-P-C4' energy: -130.760 flat angles P-C4'-P energy: -79.939 tors. eta vs tors. theta energy: -77.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1276.834853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.834853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.834853 (E_RNA) where: Base-Base interactions energy: -769.655 where: short stacking energy: -372.188 Base-Backbone interact. energy: -0.715 local terms energy: -506.465152 where: bonds (distance) C4'-P energy: -119.107 bonds (distance) P-C4' energy: -107.357 flat angles C4'-P-C4' energy: -119.000 flat angles P-C4'-P energy: -83.770 tors. eta vs tors. theta energy: -77.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -994.602171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.602171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.602171 (E_RNA) where: Base-Base interactions energy: -566.499 where: short stacking energy: -275.355 Base-Backbone interact. energy: -0.505 local terms energy: -427.597486 where: bonds (distance) C4'-P energy: -91.230 bonds (distance) P-C4' energy: -131.930 flat angles C4'-P-C4' energy: -112.154 flat angles P-C4'-P energy: -63.891 tors. eta vs tors. theta energy: -28.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -689.335111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.335111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.335111 (E_RNA) where: Base-Base interactions energy: -277.031 where: short stacking energy: -176.136 Base-Backbone interact. energy: -3.531 local terms energy: -409.155618 where: bonds (distance) C4'-P energy: -111.683 bonds (distance) P-C4' energy: -128.709 flat angles C4'-P-C4' energy: -111.479 flat angles P-C4'-P energy: -77.983 tors. eta vs tors. theta energy: 20.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.383 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2611.159297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.159297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.159297 (E_RNA) where: Base-Base interactions energy: -1820.450 where: short stacking energy: -773.342 Base-Backbone interact. energy: -2.961 local terms energy: -787.748446 where: bonds (distance) C4'-P energy: -137.197 bonds (distance) P-C4' energy: -136.773 flat angles C4'-P-C4' energy: -164.187 flat angles P-C4'-P energy: -111.683 tors. eta vs tors. theta energy: -237.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2519.395206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.395206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.395206 (E_RNA) where: Base-Base interactions energy: -1704.080 where: short stacking energy: -756.498 Base-Backbone interact. energy: -5.149 local terms energy: -810.165922 where: bonds (distance) C4'-P energy: -156.640 bonds (distance) P-C4' energy: -152.720 flat angles C4'-P-C4' energy: -166.822 flat angles P-C4'-P energy: -111.065 tors. eta vs tors. theta energy: -222.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2322.578878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.578878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.578878 (E_RNA) where: Base-Base interactions energy: -1632.441 where: short stacking energy: -666.973 Base-Backbone interact. energy: -0.914 local terms energy: -689.223708 where: bonds (distance) C4'-P energy: -135.247 bonds (distance) P-C4' energy: -127.275 flat angles C4'-P-C4' energy: -150.469 flat angles P-C4'-P energy: -95.978 tors. eta vs tors. theta energy: -180.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2322.479432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.479432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.479432 (E_RNA) where: Base-Base interactions energy: -1593.774 where: short stacking energy: -679.030 Base-Backbone interact. energy: -3.547 local terms energy: -725.158657 where: bonds (distance) C4'-P energy: -131.459 bonds (distance) P-C4' energy: -136.439 flat angles C4'-P-C4' energy: -154.131 flat angles P-C4'-P energy: -101.914 tors. eta vs tors. theta energy: -201.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2017.761960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.761960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.761960 (E_RNA) where: Base-Base interactions energy: -1342.112 where: short stacking energy: -583.113 Base-Backbone interact. energy: -2.586 local terms energy: -673.064335 where: bonds (distance) C4'-P energy: -129.270 bonds (distance) P-C4' energy: -128.926 flat angles C4'-P-C4' energy: -148.114 flat angles P-C4'-P energy: -89.506 tors. eta vs tors. theta energy: -177.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1816.019970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.019970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.019970 (E_RNA) where: Base-Base interactions energy: -1238.258 where: short stacking energy: -529.687 Base-Backbone interact. energy: 1.138 local terms energy: -578.900174 where: bonds (distance) C4'-P energy: -120.851 bonds (distance) P-C4' energy: -130.252 flat angles C4'-P-C4' energy: -131.211 flat angles P-C4'-P energy: -82.155 tors. eta vs tors. theta energy: -114.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1503.343717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.343717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.343717 (E_RNA) where: Base-Base interactions energy: -955.609 where: short stacking energy: -438.442 Base-Backbone interact. energy: -2.860 local terms energy: -544.875053 where: bonds (distance) C4'-P energy: -118.293 bonds (distance) P-C4' energy: -124.792 flat angles C4'-P-C4' energy: -128.629 flat angles P-C4'-P energy: -83.126 tors. eta vs tors. theta energy: -90.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1307.459628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.459628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.459628 (E_RNA) where: Base-Base interactions energy: -789.037 where: short stacking energy: -385.001 Base-Backbone interact. energy: 4.711 local terms energy: -523.133667 where: bonds (distance) C4'-P energy: -117.772 bonds (distance) P-C4' energy: -137.295 flat angles C4'-P-C4' energy: -115.487 flat angles P-C4'-P energy: -86.802 tors. eta vs tors. theta energy: -65.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1024.514893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.514893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.514893 (E_RNA) where: Base-Base interactions energy: -550.235 where: short stacking energy: -274.462 Base-Backbone interact. energy: 3.508 local terms energy: -477.787152 where: bonds (distance) C4'-P energy: -126.216 bonds (distance) P-C4' energy: -144.113 flat angles C4'-P-C4' energy: -102.987 flat angles P-C4'-P energy: -73.300 tors. eta vs tors. theta energy: -31.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -712.211782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.211782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.211782 (E_RNA) where: Base-Base interactions energy: -325.895 where: short stacking energy: -196.559 Base-Backbone interact. energy: 3.063 local terms energy: -390.047911 where: bonds (distance) C4'-P energy: -108.519 bonds (distance) P-C4' energy: -139.140 flat angles C4'-P-C4' energy: -91.410 flat angles P-C4'-P energy: -52.189 tors. eta vs tors. theta energy: 1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.668 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2614.052679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.052679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.052679 (E_RNA) where: Base-Base interactions energy: -1799.986 where: short stacking energy: -755.052 Base-Backbone interact. energy: -2.036 local terms energy: -812.030842 where: bonds (distance) C4'-P energy: -156.558 bonds (distance) P-C4' energy: -142.075 flat angles C4'-P-C4' energy: -165.311 flat angles P-C4'-P energy: -117.710 tors. eta vs tors. theta energy: -230.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2517.097757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.097757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.097757 (E_RNA) where: Base-Base interactions energy: -1714.299 where: short stacking energy: -760.845 Base-Backbone interact. energy: -1.395 local terms energy: -801.403486 where: bonds (distance) C4'-P energy: -137.595 bonds (distance) P-C4' energy: -144.960 flat angles C4'-P-C4' energy: -172.634 flat angles P-C4'-P energy: -122.504 tors. eta vs tors. theta energy: -223.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2388.633326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.633326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.633326 (E_RNA) where: Base-Base interactions energy: -1635.173 where: short stacking energy: -698.735 Base-Backbone interact. energy: -0.095 local terms energy: -753.365060 where: bonds (distance) C4'-P energy: -148.791 bonds (distance) P-C4' energy: -147.340 flat angles C4'-P-C4' energy: -162.610 flat angles P-C4'-P energy: -103.279 tors. eta vs tors. theta energy: -191.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2292.333644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.333644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.333644 (E_RNA) where: Base-Base interactions energy: -1581.391 where: short stacking energy: -663.076 Base-Backbone interact. energy: -0.550 local terms energy: -710.392900 where: bonds (distance) C4'-P energy: -141.748 bonds (distance) P-C4' energy: -139.037 flat angles C4'-P-C4' energy: -142.700 flat angles P-C4'-P energy: -101.272 tors. eta vs tors. theta energy: -185.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1960.470347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.470347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.470347 (E_RNA) where: Base-Base interactions energy: -1341.326 where: short stacking energy: -588.475 Base-Backbone interact. energy: 0.324 local terms energy: -619.468366 where: bonds (distance) C4'-P energy: -116.137 bonds (distance) P-C4' energy: -137.117 flat angles C4'-P-C4' energy: -149.480 flat angles P-C4'-P energy: -76.057 tors. eta vs tors. theta energy: -140.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1801.466300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.466300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.466300 (E_RNA) where: Base-Base interactions energy: -1188.400 where: short stacking energy: -495.031 Base-Backbone interact. energy: -2.436 local terms energy: -610.630741 where: bonds (distance) C4'-P energy: -143.504 bonds (distance) P-C4' energy: -126.131 flat angles C4'-P-C4' energy: -142.262 flat angles P-C4'-P energy: -81.297 tors. eta vs tors. theta energy: -117.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1542.079522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.079522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.079522 (E_RNA) where: Base-Base interactions energy: -955.168 where: short stacking energy: -463.271 Base-Backbone interact. energy: -1.647 local terms energy: -585.264801 where: bonds (distance) C4'-P energy: -108.632 bonds (distance) P-C4' energy: -135.736 flat angles C4'-P-C4' energy: -150.826 flat angles P-C4'-P energy: -82.896 tors. eta vs tors. theta energy: -107.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1389.048157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.048157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.048157 (E_RNA) where: Base-Base interactions energy: -848.821 where: short stacking energy: -418.490 Base-Backbone interact. energy: -4.056 local terms energy: -536.171130 where: bonds (distance) C4'-P energy: -132.467 bonds (distance) P-C4' energy: -130.440 flat angles C4'-P-C4' energy: -113.222 flat angles P-C4'-P energy: -91.879 tors. eta vs tors. theta energy: -68.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -992.442966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.442966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.442966 (E_RNA) where: Base-Base interactions energy: -542.078 where: short stacking energy: -262.587 Base-Backbone interact. energy: -5.101 local terms energy: -445.263937 where: bonds (distance) C4'-P energy: -102.452 bonds (distance) P-C4' energy: -136.973 flat angles C4'-P-C4' energy: -124.971 flat angles P-C4'-P energy: -71.052 tors. eta vs tors. theta energy: -9.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -671.894058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.894058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.894058 (E_RNA) where: Base-Base interactions energy: -281.920 where: short stacking energy: -190.297 Base-Backbone interact. energy: -1.985 local terms energy: -387.988962 where: bonds (distance) C4'-P energy: -122.517 bonds (distance) P-C4' energy: -123.492 flat angles C4'-P-C4' energy: -97.159 flat angles P-C4'-P energy: -81.891 tors. eta vs tors. theta energy: 37.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2602.793689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.793689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.793689 (E_RNA) where: Base-Base interactions energy: -1795.010 where: short stacking energy: -770.204 Base-Backbone interact. energy: -1.636 local terms energy: -806.147780 where: bonds (distance) C4'-P energy: -152.593 bonds (distance) P-C4' energy: -154.993 flat angles C4'-P-C4' energy: -157.671 flat angles P-C4'-P energy: -104.128 tors. eta vs tors. theta energy: -236.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2487.792641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.792641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.792641 (E_RNA) where: Base-Base interactions energy: -1702.060 where: short stacking energy: -741.358 Base-Backbone interact. energy: -4.015 local terms energy: -781.717742 where: bonds (distance) C4'-P energy: -146.684 bonds (distance) P-C4' energy: -140.147 flat angles C4'-P-C4' energy: -174.089 flat angles P-C4'-P energy: -95.634 tors. eta vs tors. theta energy: -225.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2375.971111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.971111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.971111 (E_RNA) where: Base-Base interactions energy: -1644.049 where: short stacking energy: -698.805 Base-Backbone interact. energy: -2.197 local terms energy: -729.725193 where: bonds (distance) C4'-P energy: -147.312 bonds (distance) P-C4' energy: -133.148 flat angles C4'-P-C4' energy: -163.249 flat angles P-C4'-P energy: -92.047 tors. eta vs tors. theta energy: -193.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2272.329718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.329718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.329718 (E_RNA) where: Base-Base interactions energy: -1582.594 where: short stacking energy: -644.053 Base-Backbone interact. energy: -0.619 local terms energy: -689.116572 where: bonds (distance) C4'-P energy: -125.628 bonds (distance) P-C4' energy: -122.741 flat angles C4'-P-C4' energy: -153.909 flat angles P-C4'-P energy: -95.722 tors. eta vs tors. theta energy: -191.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2006.779279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.779279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.779279 (E_RNA) where: Base-Base interactions energy: -1391.390 where: short stacking energy: -570.761 Base-Backbone interact. energy: -1.137 local terms energy: -614.252939 where: bonds (distance) C4'-P energy: -111.941 bonds (distance) P-C4' energy: -139.853 flat angles C4'-P-C4' energy: -142.263 flat angles P-C4'-P energy: -71.490 tors. eta vs tors. theta energy: -148.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1753.908694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.908694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.908694 (E_RNA) where: Base-Base interactions energy: -1155.861 where: short stacking energy: -533.788 Base-Backbone interact. energy: -2.920 local terms energy: -595.127038 where: bonds (distance) C4'-P energy: -125.968 bonds (distance) P-C4' energy: -127.985 flat angles C4'-P-C4' energy: -127.176 flat angles P-C4'-P energy: -98.824 tors. eta vs tors. theta energy: -115.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1560.048518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.048518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.048518 (E_RNA) where: Base-Base interactions energy: -1003.153 where: short stacking energy: -497.615 Base-Backbone interact. energy: -2.102 local terms energy: -554.793037 where: bonds (distance) C4'-P energy: -135.508 bonds (distance) P-C4' energy: -119.930 flat angles C4'-P-C4' energy: -122.613 flat angles P-C4'-P energy: -69.929 tors. eta vs tors. theta energy: -106.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1371.006713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.006713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.006713 (E_RNA) where: Base-Base interactions energy: -826.088 where: short stacking energy: -364.650 Base-Backbone interact. energy: -2.026 local terms energy: -542.892605 where: bonds (distance) C4'-P energy: -131.917 bonds (distance) P-C4' energy: -130.574 flat angles C4'-P-C4' energy: -124.926 flat angles P-C4'-P energy: -72.672 tors. eta vs tors. theta energy: -82.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -985.541847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.541847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.541847 (E_RNA) where: Base-Base interactions energy: -546.971 where: short stacking energy: -280.119 Base-Backbone interact. energy: -0.817 local terms energy: -437.753587 where: bonds (distance) C4'-P energy: -105.577 bonds (distance) P-C4' energy: -133.251 flat angles C4'-P-C4' energy: -106.405 flat angles P-C4'-P energy: -73.382 tors. eta vs tors. theta energy: -19.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -671.474697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.474697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.474697 (E_RNA) where: Base-Base interactions energy: -323.834 where: short stacking energy: -198.161 Base-Backbone interact. energy: 5.696 local terms energy: -353.336224 where: bonds (distance) C4'-P energy: -138.882 bonds (distance) P-C4' energy: -108.362 flat angles C4'-P-C4' energy: -60.814 flat angles P-C4'-P energy: -50.985 tors. eta vs tors. theta energy: 5.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2610.138977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.138977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.138977 (E_RNA) where: Base-Base interactions energy: -1784.225 where: short stacking energy: -765.256 Base-Backbone interact. energy: -1.137 local terms energy: -824.777076 where: bonds (distance) C4'-P energy: -154.215 bonds (distance) P-C4' energy: -156.356 flat angles C4'-P-C4' energy: -166.234 flat angles P-C4'-P energy: -117.603 tors. eta vs tors. theta energy: -230.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2546.451401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.451401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.451401 (E_RNA) where: Base-Base interactions energy: -1733.176 where: short stacking energy: -769.085 Base-Backbone interact. energy: 0.690 local terms energy: -813.965870 where: bonds (distance) C4'-P energy: -129.639 bonds (distance) P-C4' energy: -150.929 flat angles C4'-P-C4' energy: -167.157 flat angles P-C4'-P energy: -128.055 tors. eta vs tors. theta energy: -238.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2370.060984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.060984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.060984 (E_RNA) where: Base-Base interactions energy: -1608.308 where: short stacking energy: -710.223 Base-Backbone interact. energy: -3.357 local terms energy: -758.396026 where: bonds (distance) C4'-P energy: -150.339 bonds (distance) P-C4' energy: -137.027 flat angles C4'-P-C4' energy: -167.408 flat angles P-C4'-P energy: -87.285 tors. eta vs tors. theta energy: -216.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2285.428082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.428082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.428082 (E_RNA) where: Base-Base interactions energy: -1576.484 where: short stacking energy: -653.276 Base-Backbone interact. energy: -1.185 local terms energy: -707.758342 where: bonds (distance) C4'-P energy: -136.415 bonds (distance) P-C4' energy: -150.487 flat angles C4'-P-C4' energy: -138.261 flat angles P-C4'-P energy: -99.504 tors. eta vs tors. theta energy: -183.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2031.086251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.086251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.086251 (E_RNA) where: Base-Base interactions energy: -1377.644 where: short stacking energy: -611.359 Base-Backbone interact. energy: 3.657 local terms energy: -657.099066 where: bonds (distance) C4'-P energy: -131.120 bonds (distance) P-C4' energy: -132.585 flat angles C4'-P-C4' energy: -142.533 flat angles P-C4'-P energy: -106.538 tors. eta vs tors. theta energy: -144.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1763.171740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.171740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.171740 (E_RNA) where: Base-Base interactions energy: -1159.902 where: short stacking energy: -515.206 Base-Backbone interact. energy: 0.445 local terms energy: -603.714498 where: bonds (distance) C4'-P energy: -122.396 bonds (distance) P-C4' energy: -138.881 flat angles C4'-P-C4' energy: -124.815 flat angles P-C4'-P energy: -92.528 tors. eta vs tors. theta energy: -125.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1518.156899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.156899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.156899 (E_RNA) where: Base-Base interactions energy: -960.798 where: short stacking energy: -452.725 Base-Backbone interact. energy: -0.453 local terms energy: -556.905904 where: bonds (distance) C4'-P energy: -107.826 bonds (distance) P-C4' energy: -143.603 flat angles C4'-P-C4' energy: -148.557 flat angles P-C4'-P energy: -61.838 tors. eta vs tors. theta energy: -95.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1310.177144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.177144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.177144 (E_RNA) where: Base-Base interactions energy: -803.268 where: short stacking energy: -379.099 Base-Backbone interact. energy: -4.704 local terms energy: -502.205272 where: bonds (distance) C4'-P energy: -134.287 bonds (distance) P-C4' energy: -96.337 flat angles C4'-P-C4' energy: -119.343 flat angles P-C4'-P energy: -72.294 tors. eta vs tors. theta energy: -79.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1013.990789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.990789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.990789 (E_RNA) where: Base-Base interactions energy: -582.127 where: short stacking energy: -282.341 Base-Backbone interact. energy: -1.223 local terms energy: -430.640995 where: bonds (distance) C4'-P energy: -105.617 bonds (distance) P-C4' energy: -133.338 flat angles C4'-P-C4' energy: -87.600 flat angles P-C4'-P energy: -68.382 tors. eta vs tors. theta energy: -35.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -689.091672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.091672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.091672 (E_RNA) where: Base-Base interactions energy: -289.272 where: short stacking energy: -191.176 Base-Backbone interact. energy: -0.756 local terms energy: -399.063619 where: bonds (distance) C4'-P energy: -119.193 bonds (distance) P-C4' energy: -122.044 flat angles C4'-P-C4' energy: -94.774 flat angles P-C4'-P energy: -58.096 tors. eta vs tors. theta energy: -4.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2620.796647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.796647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.796647 (E_RNA) where: Base-Base interactions energy: -1808.391 where: short stacking energy: -767.135 Base-Backbone interact. energy: -2.348 local terms energy: -810.058033 where: bonds (distance) C4'-P energy: -150.133 bonds (distance) P-C4' energy: -155.266 flat angles C4'-P-C4' energy: -162.423 flat angles P-C4'-P energy: -112.615 tors. eta vs tors. theta energy: -229.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2523.154151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.154151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.154151 (E_RNA) where: Base-Base interactions energy: -1725.031 where: short stacking energy: -757.863 Base-Backbone interact. energy: -1.875 local terms energy: -796.247432 where: bonds (distance) C4'-P energy: -139.998 bonds (distance) P-C4' energy: -149.127 flat angles C4'-P-C4' energy: -161.954 flat angles P-C4'-P energy: -118.555 tors. eta vs tors. theta energy: -226.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2381.789057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.789057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.789057 (E_RNA) where: Base-Base interactions energy: -1631.125 where: short stacking energy: -749.875 Base-Backbone interact. energy: 1.269 local terms energy: -751.933599 where: bonds (distance) C4'-P energy: -119.571 bonds (distance) P-C4' energy: -143.871 flat angles C4'-P-C4' energy: -169.582 flat angles P-C4'-P energy: -110.118 tors. eta vs tors. theta energy: -208.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2303.814032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.814032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.814032 (E_RNA) where: Base-Base interactions energy: -1615.768 where: short stacking energy: -641.501 Base-Backbone interact. energy: -1.802 local terms energy: -686.243776 where: bonds (distance) C4'-P energy: -154.101 bonds (distance) P-C4' energy: -116.797 flat angles C4'-P-C4' energy: -150.650 flat angles P-C4'-P energy: -91.885 tors. eta vs tors. theta energy: -172.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2050.037125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.037125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.037125 (E_RNA) where: Base-Base interactions energy: -1382.927 where: short stacking energy: -595.091 Base-Backbone interact. energy: 0.107 local terms energy: -667.216770 where: bonds (distance) C4'-P energy: -127.444 bonds (distance) P-C4' energy: -136.246 flat angles C4'-P-C4' energy: -155.370 flat angles P-C4'-P energy: -87.658 tors. eta vs tors. theta energy: -160.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1805.280141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.280141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.280141 (E_RNA) where: Base-Base interactions energy: -1177.023 where: short stacking energy: -524.255 Base-Backbone interact. energy: -3.566 local terms energy: -624.690528 where: bonds (distance) C4'-P energy: -119.365 bonds (distance) P-C4' energy: -128.446 flat angles C4'-P-C4' energy: -147.445 flat angles P-C4'-P energy: -104.557 tors. eta vs tors. theta energy: -124.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1582.964383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.964383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.964383 (E_RNA) where: Base-Base interactions energy: -1021.795 where: short stacking energy: -456.676 Base-Backbone interact. energy: 1.165 local terms energy: -562.334844 where: bonds (distance) C4'-P energy: -105.696 bonds (distance) P-C4' energy: -135.907 flat angles C4'-P-C4' energy: -143.769 flat angles P-C4'-P energy: -86.693 tors. eta vs tors. theta energy: -90.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1280.984641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.984641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.984641 (E_RNA) where: Base-Base interactions energy: -753.518 where: short stacking energy: -365.644 Base-Backbone interact. energy: 0.997 local terms energy: -528.463746 where: bonds (distance) C4'-P energy: -119.227 bonds (distance) P-C4' energy: -131.147 flat angles C4'-P-C4' energy: -134.104 flat angles P-C4'-P energy: -75.215 tors. eta vs tors. theta energy: -68.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1061.277282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.277282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.277282 (E_RNA) where: Base-Base interactions energy: -596.158 where: short stacking energy: -287.838 Base-Backbone interact. energy: -0.683 local terms energy: -464.435504 where: bonds (distance) C4'-P energy: -130.550 bonds (distance) P-C4' energy: -123.850 flat angles C4'-P-C4' energy: -114.060 flat angles P-C4'-P energy: -56.955 tors. eta vs tors. theta energy: -39.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -767.247607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.247607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.247607 (E_RNA) where: Base-Base interactions energy: -372.946 where: short stacking energy: -230.080 Base-Backbone interact. energy: 11.159 local terms energy: -405.460967 where: bonds (distance) C4'-P energy: -123.496 bonds (distance) P-C4' energy: -132.107 flat angles C4'-P-C4' energy: -84.379 flat angles P-C4'-P energy: -61.723 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2604.577249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.577249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.577249 (E_RNA) where: Base-Base interactions energy: -1801.655 where: short stacking energy: -783.491 Base-Backbone interact. energy: 4.664 local terms energy: -807.585805 where: bonds (distance) C4'-P energy: -150.659 bonds (distance) P-C4' energy: -148.351 flat angles C4'-P-C4' energy: -171.206 flat angles P-C4'-P energy: -114.318 tors. eta vs tors. theta energy: -223.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2521.605231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.605231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.605231 (E_RNA) where: Base-Base interactions energy: -1700.178 where: short stacking energy: -729.867 Base-Backbone interact. energy: -1.855 local terms energy: -819.572757 where: bonds (distance) C4'-P energy: -147.009 bonds (distance) P-C4' energy: -157.903 flat angles C4'-P-C4' energy: -174.276 flat angles P-C4'-P energy: -119.625 tors. eta vs tors. theta energy: -220.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2404.604288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.604288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.604288 (E_RNA) where: Base-Base interactions energy: -1649.641 where: short stacking energy: -673.423 Base-Backbone interact. energy: 0.278 local terms energy: -755.240881 where: bonds (distance) C4'-P energy: -132.132 bonds (distance) P-C4' energy: -147.947 flat angles C4'-P-C4' energy: -173.877 flat angles P-C4'-P energy: -111.754 tors. eta vs tors. theta energy: -189.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2336.996149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.996149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.996149 (E_RNA) where: Base-Base interactions energy: -1584.948 where: short stacking energy: -706.878 Base-Backbone interact. energy: 0.589 local terms energy: -752.636689 where: bonds (distance) C4'-P energy: -139.721 bonds (distance) P-C4' energy: -134.729 flat angles C4'-P-C4' energy: -151.722 flat angles P-C4'-P energy: -117.453 tors. eta vs tors. theta energy: -209.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2028.051677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.051677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.051677 (E_RNA) where: Base-Base interactions energy: -1352.121 where: short stacking energy: -600.928 Base-Backbone interact. energy: -4.700 local terms energy: -671.230935 where: bonds (distance) C4'-P energy: -143.233 bonds (distance) P-C4' energy: -126.750 flat angles C4'-P-C4' energy: -145.741 flat angles P-C4'-P energy: -92.283 tors. eta vs tors. theta energy: -163.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1802.605916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.605916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.605916 (E_RNA) where: Base-Base interactions energy: -1193.909 where: short stacking energy: -521.165 Base-Backbone interact. energy: 3.566 local terms energy: -612.262873 where: bonds (distance) C4'-P energy: -116.949 bonds (distance) P-C4' energy: -148.113 flat angles C4'-P-C4' energy: -148.312 flat angles P-C4'-P energy: -69.654 tors. eta vs tors. theta energy: -129.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1594.184581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.184581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.184581 (E_RNA) where: Base-Base interactions energy: -991.068 where: short stacking energy: -461.899 Base-Backbone interact. energy: -3.916 local terms energy: -599.200608 where: bonds (distance) C4'-P energy: -140.677 bonds (distance) P-C4' energy: -139.712 flat angles C4'-P-C4' energy: -121.748 flat angles P-C4'-P energy: -81.806 tors. eta vs tors. theta energy: -115.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1308.297161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.297161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.297161 (E_RNA) where: Base-Base interactions energy: -799.371 where: short stacking energy: -386.240 Base-Backbone interact. energy: -0.387 local terms energy: -508.538863 where: bonds (distance) C4'-P energy: -104.964 bonds (distance) P-C4' energy: -133.582 flat angles C4'-P-C4' energy: -131.382 flat angles P-C4'-P energy: -71.032 tors. eta vs tors. theta energy: -67.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1050.875076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.875076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.875076 (E_RNA) where: Base-Base interactions energy: -606.913 where: short stacking energy: -303.183 Base-Backbone interact. energy: -1.901 local terms energy: -442.061248 where: bonds (distance) C4'-P energy: -109.519 bonds (distance) P-C4' energy: -114.524 flat angles C4'-P-C4' energy: -119.292 flat angles P-C4'-P energy: -58.691 tors. eta vs tors. theta energy: -40.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -747.897259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.897259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.897259 (E_RNA) where: Base-Base interactions energy: -354.530 where: short stacking energy: -216.277 Base-Backbone interact. energy: 5.894 local terms energy: -399.261901 where: bonds (distance) C4'-P energy: -114.288 bonds (distance) P-C4' energy: -116.983 flat angles C4'-P-C4' energy: -109.752 flat angles P-C4'-P energy: -66.314 tors. eta vs tors. theta energy: 8.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2613.607715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.607715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.607715 (E_RNA) where: Base-Base interactions energy: -1838.592 where: short stacking energy: -770.125 Base-Backbone interact. energy: -3.250 local terms energy: -771.766577 where: bonds (distance) C4'-P energy: -144.133 bonds (distance) P-C4' energy: -151.491 flat angles C4'-P-C4' energy: -162.099 flat angles P-C4'-P energy: -99.709 tors. eta vs tors. theta energy: -214.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2533.213232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.213232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.213232 (E_RNA) where: Base-Base interactions energy: -1732.972 where: short stacking energy: -771.484 Base-Backbone interact. energy: -4.563 local terms energy: -795.678204 where: bonds (distance) C4'-P energy: -151.209 bonds (distance) P-C4' energy: -132.653 flat angles C4'-P-C4' energy: -156.951 flat angles P-C4'-P energy: -116.826 tors. eta vs tors. theta energy: -238.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2366.858017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.858017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.858017 (E_RNA) where: Base-Base interactions energy: -1644.802 where: short stacking energy: -679.110 Base-Backbone interact. energy: -0.267 local terms energy: -721.789672 where: bonds (distance) C4'-P energy: -148.308 bonds (distance) P-C4' energy: -130.812 flat angles C4'-P-C4' energy: -156.140 flat angles P-C4'-P energy: -101.416 tors. eta vs tors. theta energy: -185.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2328.708588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.708588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.708588 (E_RNA) where: Base-Base interactions energy: -1592.590 where: short stacking energy: -681.365 Base-Backbone interact. energy: -1.396 local terms energy: -734.722257 where: bonds (distance) C4'-P energy: -140.911 bonds (distance) P-C4' energy: -147.430 flat angles C4'-P-C4' energy: -153.464 flat angles P-C4'-P energy: -102.507 tors. eta vs tors. theta energy: -190.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2051.849344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.849344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.849344 (E_RNA) where: Base-Base interactions energy: -1384.579 where: short stacking energy: -565.333 Base-Backbone interact. energy: -1.586 local terms energy: -665.684809 where: bonds (distance) C4'-P energy: -137.411 bonds (distance) P-C4' energy: -138.384 flat angles C4'-P-C4' energy: -151.046 flat angles P-C4'-P energy: -89.677 tors. eta vs tors. theta energy: -149.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1811.653400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.653400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.653400 (E_RNA) where: Base-Base interactions energy: -1219.626 where: short stacking energy: -544.788 Base-Backbone interact. energy: -0.963 local terms energy: -591.064232 where: bonds (distance) C4'-P energy: -118.661 bonds (distance) P-C4' energy: -126.498 flat angles C4'-P-C4' energy: -141.525 flat angles P-C4'-P energy: -76.490 tors. eta vs tors. theta energy: -127.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1590.565179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.565179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.565179 (E_RNA) where: Base-Base interactions energy: -1026.739 where: short stacking energy: -485.984 Base-Backbone interact. energy: -0.158 local terms energy: -563.668047 where: bonds (distance) C4'-P energy: -110.752 bonds (distance) P-C4' energy: -138.508 flat angles C4'-P-C4' energy: -114.055 flat angles P-C4'-P energy: -76.171 tors. eta vs tors. theta energy: -124.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1321.687966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.687966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.687966 (E_RNA) where: Base-Base interactions energy: -819.297 where: short stacking energy: -404.150 Base-Backbone interact. energy: 2.450 local terms energy: -504.840892 where: bonds (distance) C4'-P energy: -102.625 bonds (distance) P-C4' energy: -125.447 flat angles C4'-P-C4' energy: -116.248 flat angles P-C4'-P energy: -86.620 tors. eta vs tors. theta energy: -73.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1069.689378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.689378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.689378 (E_RNA) where: Base-Base interactions energy: -611.589 where: short stacking energy: -325.500 Base-Backbone interact. energy: -0.913 local terms energy: -457.187508 where: bonds (distance) C4'-P energy: -114.146 bonds (distance) P-C4' energy: -129.544 flat angles C4'-P-C4' energy: -110.621 flat angles P-C4'-P energy: -63.649 tors. eta vs tors. theta energy: -39.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -759.832177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.832177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.832177 (E_RNA) where: Base-Base interactions energy: -367.775 where: short stacking energy: -232.682 Base-Backbone interact. energy: -1.050 local terms energy: -391.006966 where: bonds (distance) C4'-P energy: -121.552 bonds (distance) P-C4' energy: -109.906 flat angles C4'-P-C4' energy: -103.883 flat angles P-C4'-P energy: -46.024 tors. eta vs tors. theta energy: -9.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2623.339120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.339120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.339120 (E_RNA) where: Base-Base interactions energy: -1793.619 where: short stacking energy: -778.711 Base-Backbone interact. energy: -2.828 local terms energy: -826.892136 where: bonds (distance) C4'-P energy: -143.492 bonds (distance) P-C4' energy: -158.182 flat angles C4'-P-C4' energy: -177.799 flat angles P-C4'-P energy: -116.392 tors. eta vs tors. theta energy: -231.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2524.623126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.623126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.623126 (E_RNA) where: Base-Base interactions energy: -1737.859 where: short stacking energy: -767.902 Base-Backbone interact. energy: 1.822 local terms energy: -788.586387 where: bonds (distance) C4'-P energy: -136.423 bonds (distance) P-C4' energy: -149.018 flat angles C4'-P-C4' energy: -174.058 flat angles P-C4'-P energy: -103.281 tors. eta vs tors. theta energy: -225.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2388.550118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.550118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.550118 (E_RNA) where: Base-Base interactions energy: -1656.322 where: short stacking energy: -687.017 Base-Backbone interact. energy: -2.912 local terms energy: -729.315816 where: bonds (distance) C4'-P energy: -125.548 bonds (distance) P-C4' energy: -151.651 flat angles C4'-P-C4' energy: -158.731 flat angles P-C4'-P energy: -111.820 tors. eta vs tors. theta energy: -181.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2321.613774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.613774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.613774 (E_RNA) where: Base-Base interactions energy: -1600.547 where: short stacking energy: -690.044 Base-Backbone interact. energy: 3.187 local terms energy: -724.253576 where: bonds (distance) C4'-P energy: -132.333 bonds (distance) P-C4' energy: -144.706 flat angles C4'-P-C4' energy: -145.998 flat angles P-C4'-P energy: -102.650 tors. eta vs tors. theta energy: -198.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2041.153027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.153027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.153027 (E_RNA) where: Base-Base interactions energy: -1352.497 where: short stacking energy: -591.944 Base-Backbone interact. energy: -1.294 local terms energy: -687.361810 where: bonds (distance) C4'-P energy: -133.218 bonds (distance) P-C4' energy: -135.808 flat angles C4'-P-C4' energy: -143.015 flat angles P-C4'-P energy: -106.155 tors. eta vs tors. theta energy: -169.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1809.173670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.173670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.173670 (E_RNA) where: Base-Base interactions energy: -1191.885 where: short stacking energy: -516.983 Base-Backbone interact. energy: -2.121 local terms energy: -615.167388 where: bonds (distance) C4'-P energy: -126.962 bonds (distance) P-C4' energy: -137.422 flat angles C4'-P-C4' energy: -143.304 flat angles P-C4'-P energy: -86.334 tors. eta vs tors. theta energy: -121.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1616.662435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.662435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.662435 (E_RNA) where: Base-Base interactions energy: -1056.628 where: short stacking energy: -495.582 Base-Backbone interact. energy: 0.985 local terms energy: -561.020032 where: bonds (distance) C4'-P energy: -116.401 bonds (distance) P-C4' energy: -134.872 flat angles C4'-P-C4' energy: -132.933 flat angles P-C4'-P energy: -76.243 tors. eta vs tors. theta energy: -100.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1323.860057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.860057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.860057 (E_RNA) where: Base-Base interactions energy: -795.600 where: short stacking energy: -386.613 Base-Backbone interact. energy: -2.935 local terms energy: -525.325412 where: bonds (distance) C4'-P energy: -114.849 bonds (distance) P-C4' energy: -142.914 flat angles C4'-P-C4' energy: -118.666 flat angles P-C4'-P energy: -84.855 tors. eta vs tors. theta energy: -64.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1129.145895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.145895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.145895 (E_RNA) where: Base-Base interactions energy: -686.017 where: short stacking energy: -326.772 Base-Backbone interact. energy: -2.525 local terms energy: -440.604039 where: bonds (distance) C4'-P energy: -123.272 bonds (distance) P-C4' energy: -119.503 flat angles C4'-P-C4' energy: -103.524 flat angles P-C4'-P energy: -50.767 tors. eta vs tors. theta energy: -43.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -669.495089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.495089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.495089 (E_RNA) where: Base-Base interactions energy: -306.662 where: short stacking energy: -194.505 Base-Backbone interact. energy: -2.162 local terms energy: -360.671259 where: bonds (distance) C4'-P energy: -108.033 bonds (distance) P-C4' energy: -130.235 flat angles C4'-P-C4' energy: -110.644 flat angles P-C4'-P energy: -30.958 tors. eta vs tors. theta energy: 19.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2615.135043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.135043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.135043 (E_RNA) where: Base-Base interactions energy: -1803.121 where: short stacking energy: -766.336 Base-Backbone interact. energy: -1.178 local terms energy: -810.835442 where: bonds (distance) C4'-P energy: -138.110 bonds (distance) P-C4' energy: -153.434 flat angles C4'-P-C4' energy: -177.770 flat angles P-C4'-P energy: -115.435 tors. eta vs tors. theta energy: -226.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2533.257466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.257466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.257466 (E_RNA) where: Base-Base interactions energy: -1729.703 where: short stacking energy: -769.816 Base-Backbone interact. energy: -2.361 local terms energy: -801.193578 where: bonds (distance) C4'-P energy: -143.014 bonds (distance) P-C4' energy: -141.253 flat angles C4'-P-C4' energy: -169.863 flat angles P-C4'-P energy: -127.479 tors. eta vs tors. theta energy: -219.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2391.775091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.775091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.775091 (E_RNA) where: Base-Base interactions energy: -1675.346 where: short stacking energy: -707.056 Base-Backbone interact. energy: 1.177 local terms energy: -717.606270 where: bonds (distance) C4'-P energy: -126.926 bonds (distance) P-C4' energy: -130.682 flat angles C4'-P-C4' energy: -159.705 flat angles P-C4'-P energy: -105.417 tors. eta vs tors. theta energy: -194.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2302.783189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.783189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.783189 (E_RNA) where: Base-Base interactions energy: -1559.980 where: short stacking energy: -688.125 Base-Backbone interact. energy: -3.104 local terms energy: -739.699514 where: bonds (distance) C4'-P energy: -131.234 bonds (distance) P-C4' energy: -135.282 flat angles C4'-P-C4' energy: -163.612 flat angles P-C4'-P energy: -113.300 tors. eta vs tors. theta energy: -196.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2054.646954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.646954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.646954 (E_RNA) where: Base-Base interactions energy: -1403.076 where: short stacking energy: -608.121 Base-Backbone interact. energy: -4.109 local terms energy: -647.462523 where: bonds (distance) C4'-P energy: -118.471 bonds (distance) P-C4' energy: -150.561 flat angles C4'-P-C4' energy: -134.186 flat angles P-C4'-P energy: -100.484 tors. eta vs tors. theta energy: -143.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1823.582929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.582929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.582929 (E_RNA) where: Base-Base interactions energy: -1218.039 where: short stacking energy: -538.528 Base-Backbone interact. energy: -3.017 local terms energy: -602.527430 where: bonds (distance) C4'-P energy: -115.352 bonds (distance) P-C4' energy: -123.798 flat angles C4'-P-C4' energy: -147.152 flat angles P-C4'-P energy: -84.662 tors. eta vs tors. theta energy: -131.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1611.203937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.203937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.203937 (E_RNA) where: Base-Base interactions energy: -1039.240 where: short stacking energy: -461.636 Base-Backbone interact. energy: -1.265 local terms energy: -570.698709 where: bonds (distance) C4'-P energy: -126.499 bonds (distance) P-C4' energy: -124.569 flat angles C4'-P-C4' energy: -126.860 flat angles P-C4'-P energy: -77.719 tors. eta vs tors. theta energy: -115.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1304.611453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.611453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.611453 (E_RNA) where: Base-Base interactions energy: -782.196 where: short stacking energy: -358.197 Base-Backbone interact. energy: 5.269 local terms energy: -527.684372 where: bonds (distance) C4'-P energy: -109.957 bonds (distance) P-C4' energy: -137.722 flat angles C4'-P-C4' energy: -120.911 flat angles P-C4'-P energy: -93.099 tors. eta vs tors. theta energy: -65.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1090.880542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.880542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.880542 (E_RNA) where: Base-Base interactions energy: -631.712 where: short stacking energy: -286.450 Base-Backbone interact. energy: -1.130 local terms energy: -458.038809 where: bonds (distance) C4'-P energy: -137.465 bonds (distance) P-C4' energy: -126.446 flat angles C4'-P-C4' energy: -104.730 flat angles P-C4'-P energy: -54.985 tors. eta vs tors. theta energy: -34.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -744.649067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.649067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.649067 (E_RNA) where: Base-Base interactions energy: -369.185 where: short stacking energy: -235.737 Base-Backbone interact. energy: 0.357 local terms energy: -375.821107 where: bonds (distance) C4'-P energy: -99.405 bonds (distance) P-C4' energy: -115.416 flat angles C4'-P-C4' energy: -91.930 flat angles P-C4'-P energy: -53.213 tors. eta vs tors. theta energy: -15.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2592.698176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.698176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.698176 (E_RNA) where: Base-Base interactions energy: -1779.783 where: short stacking energy: -763.122 Base-Backbone interact. energy: -4.145 local terms energy: -808.769514 where: bonds (distance) C4'-P energy: -138.917 bonds (distance) P-C4' energy: -155.377 flat angles C4'-P-C4' energy: -168.954 flat angles P-C4'-P energy: -114.417 tors. eta vs tors. theta energy: -231.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2517.482613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.482613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.482613 (E_RNA) where: Base-Base interactions energy: -1719.423 where: short stacking energy: -768.405 Base-Backbone interact. energy: -0.820 local terms energy: -797.239456 where: bonds (distance) C4'-P energy: -138.743 bonds (distance) P-C4' energy: -149.574 flat angles C4'-P-C4' energy: -171.866 flat angles P-C4'-P energy: -113.796 tors. eta vs tors. theta energy: -223.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2382.457443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.457443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.457443 (E_RNA) where: Base-Base interactions energy: -1640.296 where: short stacking energy: -659.969 Base-Backbone interact. energy: -2.885 local terms energy: -739.276165 where: bonds (distance) C4'-P energy: -141.370 bonds (distance) P-C4' energy: -144.038 flat angles C4'-P-C4' energy: -165.297 flat angles P-C4'-P energy: -107.969 tors. eta vs tors. theta energy: -180.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2264.377231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.377231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.377231 (E_RNA) where: Base-Base interactions energy: -1540.827 where: short stacking energy: -663.675 Base-Backbone interact. energy: 3.041 local terms energy: -726.591033 where: bonds (distance) C4'-P energy: -125.285 bonds (distance) P-C4' energy: -141.700 flat angles C4'-P-C4' energy: -164.687 flat angles P-C4'-P energy: -103.411 tors. eta vs tors. theta energy: -191.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2053.096015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.096015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.096015 (E_RNA) where: Base-Base interactions energy: -1403.326 where: short stacking energy: -593.728 Base-Backbone interact. energy: 4.784 local terms energy: -654.553569 where: bonds (distance) C4'-P energy: -120.899 bonds (distance) P-C4' energy: -143.457 flat angles C4'-P-C4' energy: -129.951 flat angles P-C4'-P energy: -100.164 tors. eta vs tors. theta energy: -160.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1765.776417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.776417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.776417 (E_RNA) where: Base-Base interactions energy: -1149.445 where: short stacking energy: -500.234 Base-Backbone interact. energy: -2.173 local terms energy: -614.157644 where: bonds (distance) C4'-P energy: -141.383 bonds (distance) P-C4' energy: -131.496 flat angles C4'-P-C4' energy: -140.233 flat angles P-C4'-P energy: -87.831 tors. eta vs tors. theta energy: -113.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1585.003596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.003596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.003596 (E_RNA) where: Base-Base interactions energy: -1022.983 where: short stacking energy: -456.257 Base-Backbone interact. energy: -2.754 local terms energy: -559.266193 where: bonds (distance) C4'-P energy: -125.232 bonds (distance) P-C4' energy: -144.721 flat angles C4'-P-C4' energy: -117.334 flat angles P-C4'-P energy: -83.529 tors. eta vs tors. theta energy: -88.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1378.836230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.836230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.836230 (E_RNA) where: Base-Base interactions energy: -857.498 where: short stacking energy: -393.844 Base-Backbone interact. energy: -1.426 local terms energy: -519.911348 where: bonds (distance) C4'-P energy: -107.377 bonds (distance) P-C4' energy: -134.396 flat angles C4'-P-C4' energy: -118.983 flat angles P-C4'-P energy: -81.137 tors. eta vs tors. theta energy: -78.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1079.528751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.528751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.528751 (E_RNA) where: Base-Base interactions energy: -598.515 where: short stacking energy: -293.792 Base-Backbone interact. energy: -3.576 local terms energy: -477.436995 where: bonds (distance) C4'-P energy: -113.699 bonds (distance) P-C4' energy: -135.915 flat angles C4'-P-C4' energy: -132.845 flat angles P-C4'-P energy: -63.294 tors. eta vs tors. theta energy: -31.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -772.726908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.726908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.726908 (E_RNA) where: Base-Base interactions energy: -377.041 where: short stacking energy: -210.074 Base-Backbone interact. energy: 4.240 local terms energy: -399.925920 where: bonds (distance) C4'-P energy: -110.580 bonds (distance) P-C4' energy: -140.709 flat angles C4'-P-C4' energy: -95.718 flat angles P-C4'-P energy: -55.372 tors. eta vs tors. theta energy: 2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2586.132867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.132867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.132867 (E_RNA) where: Base-Base interactions energy: -1790.145 where: short stacking energy: -772.611 Base-Backbone interact. energy: -3.873 local terms energy: -792.114112 where: bonds (distance) C4'-P energy: -137.222 bonds (distance) P-C4' energy: -140.921 flat angles C4'-P-C4' energy: -174.808 flat angles P-C4'-P energy: -110.645 tors. eta vs tors. theta energy: -228.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2511.464393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.464393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.464393 (E_RNA) where: Base-Base interactions energy: -1719.699 where: short stacking energy: -766.765 Base-Backbone interact. energy: 4.565 local terms energy: -796.330094 where: bonds (distance) C4'-P energy: -133.965 bonds (distance) P-C4' energy: -147.392 flat angles C4'-P-C4' energy: -174.643 flat angles P-C4'-P energy: -118.103 tors. eta vs tors. theta energy: -222.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2372.555464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.555464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.555464 (E_RNA) where: Base-Base interactions energy: -1632.026 where: short stacking energy: -657.186 Base-Backbone interact. energy: -1.183 local terms energy: -739.345972 where: bonds (distance) C4'-P energy: -145.171 bonds (distance) P-C4' energy: -142.708 flat angles C4'-P-C4' energy: -160.555 flat angles P-C4'-P energy: -101.278 tors. eta vs tors. theta energy: -189.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2262.686287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.686287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.686287 (E_RNA) where: Base-Base interactions energy: -1555.091 where: short stacking energy: -665.442 Base-Backbone interact. energy: -0.446 local terms energy: -707.149133 where: bonds (distance) C4'-P energy: -125.051 bonds (distance) P-C4' energy: -134.091 flat angles C4'-P-C4' energy: -159.781 flat angles P-C4'-P energy: -94.629 tors. eta vs tors. theta energy: -193.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2046.759032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.759032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.759032 (E_RNA) where: Base-Base interactions energy: -1347.811 where: short stacking energy: -596.862 Base-Backbone interact. energy: -4.412 local terms energy: -694.536292 where: bonds (distance) C4'-P energy: -134.230 bonds (distance) P-C4' energy: -143.335 flat angles C4'-P-C4' energy: -155.662 flat angles P-C4'-P energy: -100.035 tors. eta vs tors. theta energy: -161.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1759.971478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.971478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.971478 (E_RNA) where: Base-Base interactions energy: -1166.435 where: short stacking energy: -520.797 Base-Backbone interact. energy: -2.423 local terms energy: -591.113135 where: bonds (distance) C4'-P energy: -121.650 bonds (distance) P-C4' energy: -133.090 flat angles C4'-P-C4' energy: -117.990 flat angles P-C4'-P energy: -89.089 tors. eta vs tors. theta energy: -129.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1632.537958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.537958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.537958 (E_RNA) where: Base-Base interactions energy: -1065.161 where: short stacking energy: -485.063 Base-Backbone interact. energy: -0.120 local terms energy: -567.256439 where: bonds (distance) C4'-P energy: -102.668 bonds (distance) P-C4' energy: -139.700 flat angles C4'-P-C4' energy: -144.509 flat angles P-C4'-P energy: -82.915 tors. eta vs tors. theta energy: -97.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1430.320864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.320864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.320864 (E_RNA) where: Base-Base interactions energy: -878.921 where: short stacking energy: -383.466 Base-Backbone interact. energy: -1.650 local terms energy: -550.073277 where: bonds (distance) C4'-P energy: -130.023 bonds (distance) P-C4' energy: -141.426 flat angles C4'-P-C4' energy: -134.142 flat angles P-C4'-P energy: -75.856 tors. eta vs tors. theta energy: -68.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.324 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1068.558574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.558574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.558574 (E_RNA) where: Base-Base interactions energy: -593.271 where: short stacking energy: -293.461 Base-Backbone interact. energy: 3.001 local terms energy: -478.288367 where: bonds (distance) C4'-P energy: -137.128 bonds (distance) P-C4' energy: -134.568 flat angles C4'-P-C4' energy: -125.599 flat angles P-C4'-P energy: -56.729 tors. eta vs tors. theta energy: -24.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -797.232287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.232287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.232287 (E_RNA) where: Base-Base interactions energy: -404.353 where: short stacking energy: -231.254 Base-Backbone interact. energy: -1.320 local terms energy: -391.558688 where: bonds (distance) C4'-P energy: -110.017 bonds (distance) P-C4' energy: -121.335 flat angles C4'-P-C4' energy: -100.309 flat angles P-C4'-P energy: -54.159 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2619.498925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.498925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.498925 (E_RNA) where: Base-Base interactions energy: -1819.084 where: short stacking energy: -800.054 Base-Backbone interact. energy: -1.151 local terms energy: -799.264033 where: bonds (distance) C4'-P energy: -138.930 bonds (distance) P-C4' energy: -131.308 flat angles C4'-P-C4' energy: -169.868 flat angles P-C4'-P energy: -122.599 tors. eta vs tors. theta energy: -236.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2469.927238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.927238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.927238 (E_RNA) where: Base-Base interactions energy: -1676.955 where: short stacking energy: -720.673 Base-Backbone interact. energy: -3.206 local terms energy: -789.765950 where: bonds (distance) C4'-P energy: -152.020 bonds (distance) P-C4' energy: -149.239 flat angles C4'-P-C4' energy: -167.144 flat angles P-C4'-P energy: -108.200 tors. eta vs tors. theta energy: -213.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2375.243861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.243861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.243861 (E_RNA) where: Base-Base interactions energy: -1633.439 where: short stacking energy: -666.995 Base-Backbone interact. energy: -0.854 local terms energy: -740.950934 where: bonds (distance) C4'-P energy: -145.149 bonds (distance) P-C4' energy: -150.991 flat angles C4'-P-C4' energy: -162.789 flat angles P-C4'-P energy: -107.914 tors. eta vs tors. theta energy: -174.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2312.373089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.373089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.373089 (E_RNA) where: Base-Base interactions energy: -1574.170 where: short stacking energy: -686.886 Base-Backbone interact. energy: -1.975 local terms energy: -736.227835 where: bonds (distance) C4'-P energy: -131.547 bonds (distance) P-C4' energy: -136.720 flat angles C4'-P-C4' energy: -159.876 flat angles P-C4'-P energy: -103.872 tors. eta vs tors. theta energy: -204.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2104.075052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.075052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.075052 (E_RNA) where: Base-Base interactions energy: -1408.998 where: short stacking energy: -602.944 Base-Backbone interact. energy: 0.783 local terms energy: -695.859182 where: bonds (distance) C4'-P energy: -133.562 bonds (distance) P-C4' energy: -149.359 flat angles C4'-P-C4' energy: -146.069 flat angles P-C4'-P energy: -99.995 tors. eta vs tors. theta energy: -166.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1706.044125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.044125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.044125 (E_RNA) where: Base-Base interactions energy: -1088.186 where: short stacking energy: -493.257 Base-Backbone interact. energy: 0.123 local terms energy: -617.981167 where: bonds (distance) C4'-P energy: -134.607 bonds (distance) P-C4' energy: -138.256 flat angles C4'-P-C4' energy: -137.565 flat angles P-C4'-P energy: -79.592 tors. eta vs tors. theta energy: -127.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1636.889511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.889511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.889511 (E_RNA) where: Base-Base interactions energy: -1044.013 where: short stacking energy: -486.998 Base-Backbone interact. energy: 0.279 local terms energy: -593.154954 where: bonds (distance) C4'-P energy: -122.652 bonds (distance) P-C4' energy: -128.547 flat angles C4'-P-C4' energy: -126.327 flat angles P-C4'-P energy: -96.598 tors. eta vs tors. theta energy: -119.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1375.426088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.426088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.426088 (E_RNA) where: Base-Base interactions energy: -863.704 where: short stacking energy: -401.190 Base-Backbone interact. energy: 2.874 local terms energy: -514.595924 where: bonds (distance) C4'-P energy: -110.894 bonds (distance) P-C4' energy: -118.833 flat angles C4'-P-C4' energy: -126.328 flat angles P-C4'-P energy: -71.422 tors. eta vs tors. theta energy: -87.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1126.763857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.763857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.763857 (E_RNA) where: Base-Base interactions energy: -644.669 where: short stacking energy: -307.930 Base-Backbone interact. energy: -2.858 local terms energy: -479.236552 where: bonds (distance) C4'-P energy: -132.572 bonds (distance) P-C4' energy: -136.088 flat angles C4'-P-C4' energy: -117.830 flat angles P-C4'-P energy: -40.966 tors. eta vs tors. theta energy: -51.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -780.675335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.675335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.675335 (E_RNA) where: Base-Base interactions energy: -364.475 where: short stacking energy: -230.189 Base-Backbone interact. energy: -0.056 local terms energy: -416.144878 where: bonds (distance) C4'-P energy: -109.588 bonds (distance) P-C4' energy: -120.866 flat angles C4'-P-C4' energy: -106.497 flat angles P-C4'-P energy: -76.384 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2568.129361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.129361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.129361 (E_RNA) where: Base-Base interactions energy: -1752.609 where: short stacking energy: -761.463 Base-Backbone interact. energy: -4.166 local terms energy: -811.355011 where: bonds (distance) C4'-P energy: -152.747 bonds (distance) P-C4' energy: -147.063 flat angles C4'-P-C4' energy: -173.121 flat angles P-C4'-P energy: -119.358 tors. eta vs tors. theta energy: -219.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2510.361931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.361931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.361931 (E_RNA) where: Base-Base interactions energy: -1745.937 where: short stacking energy: -769.917 Base-Backbone interact. energy: -3.414 local terms energy: -761.011063 where: bonds (distance) C4'-P energy: -145.008 bonds (distance) P-C4' energy: -129.533 flat angles C4'-P-C4' energy: -159.058 flat angles P-C4'-P energy: -108.719 tors. eta vs tors. theta energy: -218.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2393.180431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.180431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.180431 (E_RNA) where: Base-Base interactions energy: -1630.190 where: short stacking energy: -656.465 Base-Backbone interact. energy: -0.671 local terms energy: -762.319206 where: bonds (distance) C4'-P energy: -132.705 bonds (distance) P-C4' energy: -152.420 flat angles C4'-P-C4' energy: -171.544 flat angles P-C4'-P energy: -111.122 tors. eta vs tors. theta energy: -194.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2318.006712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.006712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.006712 (E_RNA) where: Base-Base interactions energy: -1576.002 where: short stacking energy: -676.601 Base-Backbone interact. energy: -3.933 local terms energy: -738.071878 where: bonds (distance) C4'-P energy: -142.544 bonds (distance) P-C4' energy: -155.868 flat angles C4'-P-C4' energy: -142.007 flat angles P-C4'-P energy: -93.401 tors. eta vs tors. theta energy: -204.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2029.794106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.794106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.794106 (E_RNA) where: Base-Base interactions energy: -1363.452 where: short stacking energy: -596.774 Base-Backbone interact. energy: 0.046 local terms energy: -666.387689 where: bonds (distance) C4'-P energy: -136.005 bonds (distance) P-C4' energy: -136.969 flat angles C4'-P-C4' energy: -147.167 flat angles P-C4'-P energy: -78.481 tors. eta vs tors. theta energy: -167.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1730.456292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.456292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.456292 (E_RNA) where: Base-Base interactions energy: -1095.881 where: short stacking energy: -474.836 Base-Backbone interact. energy: -2.321 local terms energy: -632.254294 where: bonds (distance) C4'-P energy: -134.267 bonds (distance) P-C4' energy: -146.892 flat angles C4'-P-C4' energy: -142.078 flat angles P-C4'-P energy: -97.371 tors. eta vs tors. theta energy: -111.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1635.338235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.338235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.338235 (E_RNA) where: Base-Base interactions energy: -1052.620 where: short stacking energy: -486.140 Base-Backbone interact. energy: 2.435 local terms energy: -585.152918 where: bonds (distance) C4'-P energy: -121.148 bonds (distance) P-C4' energy: -128.376 flat angles C4'-P-C4' energy: -132.931 flat angles P-C4'-P energy: -82.588 tors. eta vs tors. theta energy: -120.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1364.857229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.857229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.857229 (E_RNA) where: Base-Base interactions energy: -838.456 where: short stacking energy: -388.452 Base-Backbone interact. energy: 5.047 local terms energy: -531.447492 where: bonds (distance) C4'-P energy: -124.319 bonds (distance) P-C4' energy: -135.997 flat angles C4'-P-C4' energy: -121.124 flat angles P-C4'-P energy: -79.330 tors. eta vs tors. theta energy: -70.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1113.373819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.373819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.373819 (E_RNA) where: Base-Base interactions energy: -646.445 where: short stacking energy: -326.151 Base-Backbone interact. energy: -0.353 local terms energy: -468.710408 where: bonds (distance) C4'-P energy: -128.727 bonds (distance) P-C4' energy: -121.416 flat angles C4'-P-C4' energy: -131.095 flat angles P-C4'-P energy: -56.326 tors. eta vs tors. theta energy: -31.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.135 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -750.354316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.354316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.354316 (E_RNA) where: Base-Base interactions energy: -341.162 where: short stacking energy: -202.756 Base-Backbone interact. energy: 0.404 local terms energy: -409.595815 where: bonds (distance) C4'-P energy: -112.638 bonds (distance) P-C4' energy: -133.198 flat angles C4'-P-C4' energy: -101.753 flat angles P-C4'-P energy: -67.582 tors. eta vs tors. theta energy: 5.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2595.201654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.201654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.201654 (E_RNA) where: Base-Base interactions energy: -1795.413 where: short stacking energy: -759.535 Base-Backbone interact. energy: 0.545 local terms energy: -800.333298 where: bonds (distance) C4'-P energy: -143.565 bonds (distance) P-C4' energy: -148.102 flat angles C4'-P-C4' energy: -170.350 flat angles P-C4'-P energy: -113.247 tors. eta vs tors. theta energy: -225.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2503.458324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.458324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.458324 (E_RNA) where: Base-Base interactions energy: -1721.676 where: short stacking energy: -747.400 Base-Backbone interact. energy: -3.202 local terms energy: -778.580203 where: bonds (distance) C4'-P energy: -143.966 bonds (distance) P-C4' energy: -145.785 flat angles C4'-P-C4' energy: -168.944 flat angles P-C4'-P energy: -95.744 tors. eta vs tors. theta energy: -224.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2391.876203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.876203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.876203 (E_RNA) where: Base-Base interactions energy: -1649.855 where: short stacking energy: -686.169 Base-Backbone interact. energy: 2.702 local terms energy: -744.722809 where: bonds (distance) C4'-P energy: -151.503 bonds (distance) P-C4' energy: -140.877 flat angles C4'-P-C4' energy: -162.728 flat angles P-C4'-P energy: -95.173 tors. eta vs tors. theta energy: -194.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2337.644592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.644592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.644592 (E_RNA) where: Base-Base interactions energy: -1599.988 where: short stacking energy: -686.876 Base-Backbone interact. energy: -0.238 local terms energy: -737.418314 where: bonds (distance) C4'-P energy: -122.861 bonds (distance) P-C4' energy: -140.223 flat angles C4'-P-C4' energy: -156.370 flat angles P-C4'-P energy: -105.454 tors. eta vs tors. theta energy: -212.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2008.103109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.103109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.103109 (E_RNA) where: Base-Base interactions energy: -1363.803 where: short stacking energy: -591.457 Base-Backbone interact. energy: -4.964 local terms energy: -639.336988 where: bonds (distance) C4'-P energy: -133.667 bonds (distance) P-C4' energy: -114.986 flat angles C4'-P-C4' energy: -137.589 flat angles P-C4'-P energy: -97.196 tors. eta vs tors. theta energy: -155.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1726.011914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.011914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.011914 (E_RNA) where: Base-Base interactions energy: -1118.086 where: short stacking energy: -518.440 Base-Backbone interact. energy: -0.718 local terms energy: -607.207605 where: bonds (distance) C4'-P energy: -135.783 bonds (distance) P-C4' energy: -140.895 flat angles C4'-P-C4' energy: -136.115 flat angles P-C4'-P energy: -77.206 tors. eta vs tors. theta energy: -117.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1617.866096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.866096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.866096 (E_RNA) where: Base-Base interactions energy: -1013.257 where: short stacking energy: -449.289 Base-Backbone interact. energy: 2.843 local terms energy: -607.452922 where: bonds (distance) C4'-P energy: -130.499 bonds (distance) P-C4' energy: -134.841 flat angles C4'-P-C4' energy: -153.017 flat angles P-C4'-P energy: -94.844 tors. eta vs tors. theta energy: -94.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1379.860762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.860762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.860762 (E_RNA) where: Base-Base interactions energy: -859.112 where: short stacking energy: -393.806 Base-Backbone interact. energy: 3.300 local terms energy: -524.049494 where: bonds (distance) C4'-P energy: -124.826 bonds (distance) P-C4' energy: -126.940 flat angles C4'-P-C4' energy: -128.142 flat angles P-C4'-P energy: -74.783 tors. eta vs tors. theta energy: -69.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1116.414663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.414663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.414663 (E_RNA) where: Base-Base interactions energy: -632.273 where: short stacking energy: -330.942 Base-Backbone interact. energy: -3.284 local terms energy: -480.858086 where: bonds (distance) C4'-P energy: -115.479 bonds (distance) P-C4' energy: -134.269 flat angles C4'-P-C4' energy: -125.162 flat angles P-C4'-P energy: -64.499 tors. eta vs tors. theta energy: -41.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -783.594698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.594698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.594698 (E_RNA) where: Base-Base interactions energy: -348.092 where: short stacking energy: -194.359 Base-Backbone interact. energy: 3.132 local terms energy: -438.634986 where: bonds (distance) C4'-P energy: -123.713 bonds (distance) P-C4' energy: -142.030 flat angles C4'-P-C4' energy: -114.121 flat angles P-C4'-P energy: -62.291 tors. eta vs tors. theta energy: 3.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2619.625377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.625377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.625377 (E_RNA) where: Base-Base interactions energy: -1804.813 where: short stacking energy: -787.262 Base-Backbone interact. energy: 4.125 local terms energy: -818.937196 where: bonds (distance) C4'-P energy: -145.236 bonds (distance) P-C4' energy: -152.137 flat angles C4'-P-C4' energy: -169.050 flat angles P-C4'-P energy: -123.249 tors. eta vs tors. theta energy: -229.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2540.165101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.165101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.165101 (E_RNA) where: Base-Base interactions energy: -1740.192 where: short stacking energy: -755.515 Base-Backbone interact. energy: -4.855 local terms energy: -795.118408 where: bonds (distance) C4'-P energy: -141.451 bonds (distance) P-C4' energy: -162.948 flat angles C4'-P-C4' energy: -174.653 flat angles P-C4'-P energy: -103.247 tors. eta vs tors. theta energy: -212.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2420.946662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.946662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.946662 (E_RNA) where: Base-Base interactions energy: -1678.348 where: short stacking energy: -693.381 Base-Backbone interact. energy: -1.944 local terms energy: -740.655052 where: bonds (distance) C4'-P energy: -141.457 bonds (distance) P-C4' energy: -148.191 flat angles C4'-P-C4' energy: -156.808 flat angles P-C4'-P energy: -110.563 tors. eta vs tors. theta energy: -183.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2353.577825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.577825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.577825 (E_RNA) where: Base-Base interactions energy: -1613.969 where: short stacking energy: -685.223 Base-Backbone interact. energy: -1.430 local terms energy: -738.178384 where: bonds (distance) C4'-P energy: -137.411 bonds (distance) P-C4' energy: -139.674 flat angles C4'-P-C4' energy: -155.136 flat angles P-C4'-P energy: -105.870 tors. eta vs tors. theta energy: -200.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2042.127166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.127166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.127166 (E_RNA) where: Base-Base interactions energy: -1364.256 where: short stacking energy: -573.256 Base-Backbone interact. energy: -3.139 local terms energy: -674.731538 where: bonds (distance) C4'-P energy: -135.472 bonds (distance) P-C4' energy: -138.790 flat angles C4'-P-C4' energy: -147.942 flat angles P-C4'-P energy: -93.919 tors. eta vs tors. theta energy: -158.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1741.112815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.112815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.112815 (E_RNA) where: Base-Base interactions energy: -1138.364 where: short stacking energy: -514.111 Base-Backbone interact. energy: 0.252 local terms energy: -603.000916 where: bonds (distance) C4'-P energy: -126.939 bonds (distance) P-C4' energy: -132.366 flat angles C4'-P-C4' energy: -137.249 flat angles P-C4'-P energy: -83.405 tors. eta vs tors. theta energy: -123.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1640.021748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.021748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.021748 (E_RNA) where: Base-Base interactions energy: -1072.446 where: short stacking energy: -483.711 Base-Backbone interact. energy: 2.894 local terms energy: -570.469467 where: bonds (distance) C4'-P energy: -119.346 bonds (distance) P-C4' energy: -126.878 flat angles C4'-P-C4' energy: -144.333 flat angles P-C4'-P energy: -62.606 tors. eta vs tors. theta energy: -117.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1319.210228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.210228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.210228 (E_RNA) where: Base-Base interactions energy: -804.560 where: short stacking energy: -368.733 Base-Backbone interact. energy: 1.577 local terms energy: -516.228089 where: bonds (distance) C4'-P energy: -129.833 bonds (distance) P-C4' energy: -131.534 flat angles C4'-P-C4' energy: -108.233 flat angles P-C4'-P energy: -88.087 tors. eta vs tors. theta energy: -58.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1209.773869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.773869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.773869 (E_RNA) where: Base-Base interactions energy: -735.224 where: short stacking energy: -368.644 Base-Backbone interact. energy: -0.762 local terms energy: -473.787146 where: bonds (distance) C4'-P energy: -107.104 bonds (distance) P-C4' energy: -127.835 flat angles C4'-P-C4' energy: -102.507 flat angles P-C4'-P energy: -75.007 tors. eta vs tors. theta energy: -61.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -808.891137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.891137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.891137 (E_RNA) where: Base-Base interactions energy: -400.078 where: short stacking energy: -212.112 Base-Backbone interact. energy: -1.665 local terms energy: -407.148121 where: bonds (distance) C4'-P energy: -128.596 bonds (distance) P-C4' energy: -118.363 flat angles C4'-P-C4' energy: -102.934 flat angles P-C4'-P energy: -72.088 tors. eta vs tors. theta energy: 14.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2617.926894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.926894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.926894 (E_RNA) where: Base-Base interactions energy: -1837.041 where: short stacking energy: -752.620 Base-Backbone interact. energy: 1.880 local terms energy: -782.766049 where: bonds (distance) C4'-P energy: -132.760 bonds (distance) P-C4' energy: -147.039 flat angles C4'-P-C4' energy: -162.768 flat angles P-C4'-P energy: -113.451 tors. eta vs tors. theta energy: -226.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2498.218305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.218305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.218305 (E_RNA) where: Base-Base interactions energy: -1725.057 where: short stacking energy: -731.562 Base-Backbone interact. energy: -8.296 local terms energy: -764.865534 where: bonds (distance) C4'-P energy: -136.072 bonds (distance) P-C4' energy: -152.702 flat angles C4'-P-C4' energy: -161.517 flat angles P-C4'-P energy: -107.800 tors. eta vs tors. theta energy: -206.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2403.154573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.154573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.154573 (E_RNA) where: Base-Base interactions energy: -1647.951 where: short stacking energy: -678.042 Base-Backbone interact. energy: -1.333 local terms energy: -753.870333 where: bonds (distance) C4'-P energy: -143.613 bonds (distance) P-C4' energy: -152.264 flat angles C4'-P-C4' energy: -163.397 flat angles P-C4'-P energy: -108.563 tors. eta vs tors. theta energy: -186.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2323.475825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.475825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.475825 (E_RNA) where: Base-Base interactions energy: -1581.677 where: short stacking energy: -691.725 Base-Backbone interact. energy: 0.254 local terms energy: -742.052951 where: bonds (distance) C4'-P energy: -122.762 bonds (distance) P-C4' energy: -150.826 flat angles C4'-P-C4' energy: -160.960 flat angles P-C4'-P energy: -107.672 tors. eta vs tors. theta energy: -199.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2089.279954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.279954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.279954 (E_RNA) where: Base-Base interactions energy: -1387.804 where: short stacking energy: -616.535 Base-Backbone interact. energy: -1.732 local terms energy: -699.743551 where: bonds (distance) C4'-P energy: -128.776 bonds (distance) P-C4' energy: -146.574 flat angles C4'-P-C4' energy: -154.161 flat angles P-C4'-P energy: -92.009 tors. eta vs tors. theta energy: -178.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1664.861193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.861193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.861193 (E_RNA) where: Base-Base interactions energy: -1120.464 where: short stacking energy: -484.666 Base-Backbone interact. energy: -4.923 local terms energy: -539.474014 where: bonds (distance) C4'-P energy: -113.187 bonds (distance) P-C4' energy: -126.889 flat angles C4'-P-C4' energy: -132.546 flat angles P-C4'-P energy: -69.580 tors. eta vs tors. theta energy: -97.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1632.651543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.651543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.651543 (E_RNA) where: Base-Base interactions energy: -1034.184 where: short stacking energy: -516.278 Base-Backbone interact. energy: 0.454 local terms energy: -598.921671 where: bonds (distance) C4'-P energy: -107.339 bonds (distance) P-C4' energy: -138.868 flat angles C4'-P-C4' energy: -136.903 flat angles P-C4'-P energy: -92.434 tors. eta vs tors. theta energy: -123.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1313.258256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.258256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.258256 (E_RNA) where: Base-Base interactions energy: -801.793 where: short stacking energy: -362.612 Base-Backbone interact. energy: 3.801 local terms energy: -515.266017 where: bonds (distance) C4'-P energy: -113.347 bonds (distance) P-C4' energy: -123.995 flat angles C4'-P-C4' energy: -129.836 flat angles P-C4'-P energy: -88.065 tors. eta vs tors. theta energy: -60.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1219.119735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.119735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.119735 (E_RNA) where: Base-Base interactions energy: -742.109 where: short stacking energy: -354.701 Base-Backbone interact. energy: -2.711 local terms energy: -474.300188 where: bonds (distance) C4'-P energy: -111.475 bonds (distance) P-C4' energy: -114.582 flat angles C4'-P-C4' energy: -121.414 flat angles P-C4'-P energy: -71.273 tors. eta vs tors. theta energy: -55.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -786.177632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.177632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.177632 (E_RNA) where: Base-Base interactions energy: -376.438 where: short stacking energy: -220.497 Base-Backbone interact. energy: -0.543 local terms energy: -409.197128 where: bonds (distance) C4'-P energy: -119.400 bonds (distance) P-C4' energy: -130.821 flat angles C4'-P-C4' energy: -111.687 flat angles P-C4'-P energy: -43.743 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2641.646080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.646080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.646080 (E_RNA) where: Base-Base interactions energy: -1827.382 where: short stacking energy: -789.151 Base-Backbone interact. energy: 0.419 local terms energy: -814.682894 where: bonds (distance) C4'-P energy: -153.441 bonds (distance) P-C4' energy: -157.405 flat angles C4'-P-C4' energy: -171.505 flat angles P-C4'-P energy: -105.433 tors. eta vs tors. theta energy: -226.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2498.913476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.913476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.913476 (E_RNA) where: Base-Base interactions energy: -1706.365 where: short stacking energy: -752.107 Base-Backbone interact. energy: -3.636 local terms energy: -788.911966 where: bonds (distance) C4'-P energy: -150.158 bonds (distance) P-C4' energy: -136.984 flat angles C4'-P-C4' energy: -171.093 flat angles P-C4'-P energy: -111.484 tors. eta vs tors. theta energy: -219.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2358.031127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.031127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.031127 (E_RNA) where: Base-Base interactions energy: -1630.491 where: short stacking energy: -660.680 Base-Backbone interact. energy: 2.140 local terms energy: -729.680778 where: bonds (distance) C4'-P energy: -135.629 bonds (distance) P-C4' energy: -141.599 flat angles C4'-P-C4' energy: -161.097 flat angles P-C4'-P energy: -101.349 tors. eta vs tors. theta energy: -190.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2324.935275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.935275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.935275 (E_RNA) where: Base-Base interactions energy: -1590.661 where: short stacking energy: -669.440 Base-Backbone interact. energy: -2.178 local terms energy: -732.095869 where: bonds (distance) C4'-P energy: -115.338 bonds (distance) P-C4' energy: -144.056 flat angles C4'-P-C4' energy: -171.211 flat angles P-C4'-P energy: -106.853 tors. eta vs tors. theta energy: -194.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2099.904670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.904670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.904670 (E_RNA) where: Base-Base interactions energy: -1407.266 where: short stacking energy: -606.026 Base-Backbone interact. energy: -1.388 local terms energy: -691.250301 where: bonds (distance) C4'-P energy: -135.295 bonds (distance) P-C4' energy: -150.711 flat angles C4'-P-C4' energy: -141.884 flat angles P-C4'-P energy: -84.184 tors. eta vs tors. theta energy: -179.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1638.918541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.918541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.918541 (E_RNA) where: Base-Base interactions energy: -1085.990 where: short stacking energy: -476.735 Base-Backbone interact. energy: -5.637 local terms energy: -547.291040 where: bonds (distance) C4'-P energy: -100.485 bonds (distance) P-C4' energy: -124.016 flat angles C4'-P-C4' energy: -136.529 flat angles P-C4'-P energy: -85.326 tors. eta vs tors. theta energy: -100.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1625.961384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.961384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.961384 (E_RNA) where: Base-Base interactions energy: -1042.361 where: short stacking energy: -471.194 Base-Backbone interact. energy: 2.662 local terms energy: -586.262125 where: bonds (distance) C4'-P energy: -123.167 bonds (distance) P-C4' energy: -149.786 flat angles C4'-P-C4' energy: -120.337 flat angles P-C4'-P energy: -76.751 tors. eta vs tors. theta energy: -116.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1299.681258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.681258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.681258 (E_RNA) where: Base-Base interactions energy: -813.429 where: short stacking energy: -388.696 Base-Backbone interact. energy: 0.560 local terms energy: -486.811872 where: bonds (distance) C4'-P energy: -110.815 bonds (distance) P-C4' energy: -117.043 flat angles C4'-P-C4' energy: -140.080 flat angles P-C4'-P energy: -61.091 tors. eta vs tors. theta energy: -57.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1207.671895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.671895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.671895 (E_RNA) where: Base-Base interactions energy: -719.164 where: short stacking energy: -332.051 Base-Backbone interact. energy: -2.444 local terms energy: -486.064381 where: bonds (distance) C4'-P energy: -125.693 bonds (distance) P-C4' energy: -141.009 flat angles C4'-P-C4' energy: -101.689 flat angles P-C4'-P energy: -72.289 tors. eta vs tors. theta energy: -45.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -800.618563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.618563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.618563 (E_RNA) where: Base-Base interactions energy: -389.324 where: short stacking energy: -234.033 Base-Backbone interact. energy: 0.741 local terms energy: -412.035525 where: bonds (distance) C4'-P energy: -103.737 bonds (distance) P-C4' energy: -132.507 flat angles C4'-P-C4' energy: -98.440 flat angles P-C4'-P energy: -67.043 tors. eta vs tors. theta energy: -10.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2636.595485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.595485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.595485 (E_RNA) where: Base-Base interactions energy: -1817.249 where: short stacking energy: -769.555 Base-Backbone interact. energy: -1.216 local terms energy: -818.130255 where: bonds (distance) C4'-P energy: -155.616 bonds (distance) P-C4' energy: -157.768 flat angles C4'-P-C4' energy: -175.734 flat angles P-C4'-P energy: -114.176 tors. eta vs tors. theta energy: -214.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2472.157305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.157305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.157305 (E_RNA) where: Base-Base interactions energy: -1694.434 where: short stacking energy: -738.551 Base-Backbone interact. energy: -0.420 local terms energy: -777.302772 where: bonds (distance) C4'-P energy: -138.885 bonds (distance) P-C4' energy: -135.683 flat angles C4'-P-C4' energy: -162.829 flat angles P-C4'-P energy: -127.112 tors. eta vs tors. theta energy: -212.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2319.783354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.783354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.783354 (E_RNA) where: Base-Base interactions energy: -1589.173 where: short stacking energy: -627.309 Base-Backbone interact. energy: -0.386 local terms energy: -730.224194 where: bonds (distance) C4'-P energy: -129.206 bonds (distance) P-C4' energy: -144.093 flat angles C4'-P-C4' energy: -174.208 flat angles P-C4'-P energy: -101.380 tors. eta vs tors. theta energy: -181.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2281.262803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.262803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.262803 (E_RNA) where: Base-Base interactions energy: -1575.014 where: short stacking energy: -666.293 Base-Backbone interact. energy: -0.483 local terms energy: -705.765549 where: bonds (distance) C4'-P energy: -126.383 bonds (distance) P-C4' energy: -141.540 flat angles C4'-P-C4' energy: -153.058 flat angles P-C4'-P energy: -82.558 tors. eta vs tors. theta energy: -202.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2101.015139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.015139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.015139 (E_RNA) where: Base-Base interactions energy: -1446.175 where: short stacking energy: -610.048 Base-Backbone interact. energy: -0.189 local terms energy: -654.651362 where: bonds (distance) C4'-P energy: -143.583 bonds (distance) P-C4' energy: -110.741 flat angles C4'-P-C4' energy: -153.706 flat angles P-C4'-P energy: -83.051 tors. eta vs tors. theta energy: -163.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1610.293229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.293229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.293229 (E_RNA) where: Base-Base interactions energy: -1041.232 where: short stacking energy: -460.174 Base-Backbone interact. energy: -1.424 local terms energy: -567.637203 where: bonds (distance) C4'-P energy: -120.815 bonds (distance) P-C4' energy: -142.477 flat angles C4'-P-C4' energy: -126.515 flat angles P-C4'-P energy: -81.813 tors. eta vs tors. theta energy: -96.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1699.337460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.337460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.337460 (E_RNA) where: Base-Base interactions energy: -1097.696 where: short stacking energy: -478.140 Base-Backbone interact. energy: -1.455 local terms energy: -600.185762 where: bonds (distance) C4'-P energy: -129.037 bonds (distance) P-C4' energy: -126.995 flat angles C4'-P-C4' energy: -145.784 flat angles P-C4'-P energy: -83.270 tors. eta vs tors. theta energy: -115.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1404.983687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.983687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.983687 (E_RNA) where: Base-Base interactions energy: -864.183 where: short stacking energy: -400.939 Base-Backbone interact. energy: -1.394 local terms energy: -539.407431 where: bonds (distance) C4'-P energy: -120.313 bonds (distance) P-C4' energy: -125.095 flat angles C4'-P-C4' energy: -141.644 flat angles P-C4'-P energy: -75.216 tors. eta vs tors. theta energy: -77.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1225.960699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.960699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.960699 (E_RNA) where: Base-Base interactions energy: -776.605 where: short stacking energy: -340.872 Base-Backbone interact. energy: -0.028 local terms energy: -449.328209 where: bonds (distance) C4'-P energy: -99.207 bonds (distance) P-C4' energy: -134.135 flat angles C4'-P-C4' energy: -121.841 flat angles P-C4'-P energy: -47.441 tors. eta vs tors. theta energy: -46.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -771.889575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.889575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.889575 (E_RNA) where: Base-Base interactions energy: -368.328 where: short stacking energy: -223.150 Base-Backbone interact. energy: 6.335 local terms energy: -409.896600 where: bonds (distance) C4'-P energy: -116.677 bonds (distance) P-C4' energy: -137.557 flat angles C4'-P-C4' energy: -113.291 flat angles P-C4'-P energy: -55.774 tors. eta vs tors. theta energy: 13.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2606.207201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.207201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.207201 (E_RNA) where: Base-Base interactions energy: -1766.942 where: short stacking energy: -760.524 Base-Backbone interact. energy: -0.701 local terms energy: -838.564206 where: bonds (distance) C4'-P energy: -161.795 bonds (distance) P-C4' energy: -148.706 flat angles C4'-P-C4' energy: -180.135 flat angles P-C4'-P energy: -116.423 tors. eta vs tors. theta energy: -231.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2479.510785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.510785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.510785 (E_RNA) where: Base-Base interactions energy: -1700.039 where: short stacking energy: -733.631 Base-Backbone interact. energy: -1.959 local terms energy: -777.512349 where: bonds (distance) C4'-P energy: -144.312 bonds (distance) P-C4' energy: -134.713 flat angles C4'-P-C4' energy: -163.681 flat angles P-C4'-P energy: -120.302 tors. eta vs tors. theta energy: -214.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2294.896026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.896026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.896026 (E_RNA) where: Base-Base interactions energy: -1601.392 where: short stacking energy: -646.022 Base-Backbone interact. energy: 0.143 local terms energy: -693.646358 where: bonds (distance) C4'-P energy: -133.074 bonds (distance) P-C4' energy: -135.076 flat angles C4'-P-C4' energy: -158.861 flat angles P-C4'-P energy: -97.136 tors. eta vs tors. theta energy: -169.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2217.270889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.270889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.270889 (E_RNA) where: Base-Base interactions energy: -1505.138 where: short stacking energy: -629.313 Base-Backbone interact. energy: 0.102 local terms energy: -712.235164 where: bonds (distance) C4'-P energy: -132.239 bonds (distance) P-C4' energy: -131.353 flat angles C4'-P-C4' energy: -160.382 flat angles P-C4'-P energy: -103.825 tors. eta vs tors. theta energy: -184.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2074.887189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.887189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.887189 (E_RNA) where: Base-Base interactions energy: -1388.199 where: short stacking energy: -604.905 Base-Backbone interact. energy: -0.403 local terms energy: -686.285491 where: bonds (distance) C4'-P energy: -142.217 bonds (distance) P-C4' energy: -129.435 flat angles C4'-P-C4' energy: -154.950 flat angles P-C4'-P energy: -105.212 tors. eta vs tors. theta energy: -154.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1771.140551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.140551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.140551 (E_RNA) where: Base-Base interactions energy: -1133.304 where: short stacking energy: -522.238 Base-Backbone interact. energy: -3.628 local terms energy: -634.208376 where: bonds (distance) C4'-P energy: -138.188 bonds (distance) P-C4' energy: -140.502 flat angles C4'-P-C4' energy: -142.644 flat angles P-C4'-P energy: -78.742 tors. eta vs tors. theta energy: -134.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1594.796760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.796760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.796760 (E_RNA) where: Base-Base interactions energy: -1034.419 where: short stacking energy: -447.845 Base-Backbone interact. energy: -1.988 local terms energy: -558.389035 where: bonds (distance) C4'-P energy: -119.853 bonds (distance) P-C4' energy: -118.644 flat angles C4'-P-C4' energy: -136.390 flat angles P-C4'-P energy: -84.494 tors. eta vs tors. theta energy: -99.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1413.466977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.466977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.466977 (E_RNA) where: Base-Base interactions energy: -888.491 where: short stacking energy: -432.616 Base-Backbone interact. energy: -2.444 local terms energy: -522.531869 where: bonds (distance) C4'-P energy: -113.120 bonds (distance) P-C4' energy: -118.823 flat angles C4'-P-C4' energy: -126.925 flat angles P-C4'-P energy: -76.247 tors. eta vs tors. theta energy: -87.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1182.180832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.180832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.180832 (E_RNA) where: Base-Base interactions energy: -740.922 where: short stacking energy: -317.295 Base-Backbone interact. energy: -4.375 local terms energy: -436.882948 where: bonds (distance) C4'-P energy: -86.574 bonds (distance) P-C4' energy: -119.127 flat angles C4'-P-C4' energy: -121.660 flat angles P-C4'-P energy: -65.135 tors. eta vs tors. theta energy: -44.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -775.742905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.742905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.742905 (E_RNA) where: Base-Base interactions energy: -345.040 where: short stacking energy: -232.596 Base-Backbone interact. energy: 3.227 local terms energy: -433.929988 where: bonds (distance) C4'-P energy: -118.518 bonds (distance) P-C4' energy: -130.460 flat angles C4'-P-C4' energy: -101.595 flat angles P-C4'-P energy: -68.491 tors. eta vs tors. theta energy: -14.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2633.582062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.582062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.582062 (E_RNA) where: Base-Base interactions energy: -1834.860 where: short stacking energy: -788.851 Base-Backbone interact. energy: -4.332 local terms energy: -794.389507 where: bonds (distance) C4'-P energy: -155.882 bonds (distance) P-C4' energy: -133.356 flat angles C4'-P-C4' energy: -168.693 flat angles P-C4'-P energy: -106.181 tors. eta vs tors. theta energy: -230.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2483.849052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.849052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.849052 (E_RNA) where: Base-Base interactions energy: -1676.200 where: short stacking energy: -736.612 Base-Backbone interact. energy: -5.556 local terms energy: -802.093001 where: bonds (distance) C4'-P energy: -135.942 bonds (distance) P-C4' energy: -153.177 flat angles C4'-P-C4' energy: -169.558 flat angles P-C4'-P energy: -124.065 tors. eta vs tors. theta energy: -219.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2358.117751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.117751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.117751 (E_RNA) where: Base-Base interactions energy: -1585.042 where: short stacking energy: -707.693 Base-Backbone interact. energy: -0.821 local terms energy: -772.253957 where: bonds (distance) C4'-P energy: -122.902 bonds (distance) P-C4' energy: -158.404 flat angles C4'-P-C4' energy: -173.983 flat angles P-C4'-P energy: -105.192 tors. eta vs tors. theta energy: -211.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2216.454887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.454887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.454887 (E_RNA) where: Base-Base interactions energy: -1534.268 where: short stacking energy: -613.531 Base-Backbone interact. energy: -1.647 local terms energy: -680.540850 where: bonds (distance) C4'-P energy: -139.036 bonds (distance) P-C4' energy: -148.143 flat angles C4'-P-C4' energy: -143.291 flat angles P-C4'-P energy: -84.514 tors. eta vs tors. theta energy: -165.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2096.556642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.556642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.556642 (E_RNA) where: Base-Base interactions energy: -1421.917 where: short stacking energy: -631.946 Base-Backbone interact. energy: 3.817 local terms energy: -678.456347 where: bonds (distance) C4'-P energy: -133.931 bonds (distance) P-C4' energy: -140.019 flat angles C4'-P-C4' energy: -151.876 flat angles P-C4'-P energy: -82.520 tors. eta vs tors. theta energy: -170.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1715.481280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.481280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.481280 (E_RNA) where: Base-Base interactions energy: -1077.180 where: short stacking energy: -504.613 Base-Backbone interact. energy: -0.606 local terms energy: -637.695429 where: bonds (distance) C4'-P energy: -143.356 bonds (distance) P-C4' energy: -132.687 flat angles C4'-P-C4' energy: -156.027 flat angles P-C4'-P energy: -90.561 tors. eta vs tors. theta energy: -115.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1532.965804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.965804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.965804 (E_RNA) where: Base-Base interactions energy: -991.110 where: short stacking energy: -444.293 Base-Backbone interact. energy: 2.886 local terms energy: -544.741497 where: bonds (distance) C4'-P energy: -100.419 bonds (distance) P-C4' energy: -119.057 flat angles C4'-P-C4' energy: -144.587 flat angles P-C4'-P energy: -87.735 tors. eta vs tors. theta energy: -92.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1381.925147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.925147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.925147 (E_RNA) where: Base-Base interactions energy: -832.290 where: short stacking energy: -383.174 Base-Backbone interact. energy: -1.996 local terms energy: -547.638714 where: bonds (distance) C4'-P energy: -141.601 bonds (distance) P-C4' energy: -126.374 flat angles C4'-P-C4' energy: -131.333 flat angles P-C4'-P energy: -77.479 tors. eta vs tors. theta energy: -70.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1176.833264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.833264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.833264 (E_RNA) where: Base-Base interactions energy: -737.204 where: short stacking energy: -353.509 Base-Backbone interact. energy: 5.257 local terms energy: -444.886531 where: bonds (distance) C4'-P energy: -113.748 bonds (distance) P-C4' energy: -115.019 flat angles C4'-P-C4' energy: -82.783 flat angles P-C4'-P energy: -67.780 tors. eta vs tors. theta energy: -65.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -761.461052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.461052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.461052 (E_RNA) where: Base-Base interactions energy: -377.663 where: short stacking energy: -207.285 Base-Backbone interact. energy: 6.822 local terms energy: -390.619832 where: bonds (distance) C4'-P energy: -122.110 bonds (distance) P-C4' energy: -123.985 flat angles C4'-P-C4' energy: -103.245 flat angles P-C4'-P energy: -52.186 tors. eta vs tors. theta energy: 10.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2633.529282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.529282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.529282 (E_RNA) where: Base-Base interactions energy: -1833.457 where: short stacking energy: -773.909 Base-Backbone interact. energy: -3.457 local terms energy: -796.614833 where: bonds (distance) C4'-P energy: -151.982 bonds (distance) P-C4' energy: -144.163 flat angles C4'-P-C4' energy: -172.845 flat angles P-C4'-P energy: -104.568 tors. eta vs tors. theta energy: -223.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2506.360489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.360489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.360489 (E_RNA) where: Base-Base interactions energy: -1717.676 where: short stacking energy: -745.730 Base-Backbone interact. energy: -2.549 local terms energy: -786.135364 where: bonds (distance) C4'-P energy: -140.416 bonds (distance) P-C4' energy: -147.064 flat angles C4'-P-C4' energy: -168.296 flat angles P-C4'-P energy: -107.566 tors. eta vs tors. theta energy: -222.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2314.664946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.664946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.664946 (E_RNA) where: Base-Base interactions energy: -1593.120 where: short stacking energy: -692.255 Base-Backbone interact. energy: -1.734 local terms energy: -719.810430 where: bonds (distance) C4'-P energy: -133.517 bonds (distance) P-C4' energy: -134.657 flat angles C4'-P-C4' energy: -156.860 flat angles P-C4'-P energy: -108.228 tors. eta vs tors. theta energy: -186.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2215.094780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.094780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.094780 (E_RNA) where: Base-Base interactions energy: -1508.851 where: short stacking energy: -647.589 Base-Backbone interact. energy: 3.451 local terms energy: -709.695050 where: bonds (distance) C4'-P energy: -133.782 bonds (distance) P-C4' energy: -147.990 flat angles C4'-P-C4' energy: -143.695 flat angles P-C4'-P energy: -111.163 tors. eta vs tors. theta energy: -173.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2151.467348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.467348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.467348 (E_RNA) where: Base-Base interactions energy: -1462.170 where: short stacking energy: -658.498 Base-Backbone interact. energy: -1.565 local terms energy: -687.732104 where: bonds (distance) C4'-P energy: -135.233 bonds (distance) P-C4' energy: -140.279 flat angles C4'-P-C4' energy: -138.931 flat angles P-C4'-P energy: -83.245 tors. eta vs tors. theta energy: -190.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1716.815077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.815077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.815077 (E_RNA) where: Base-Base interactions energy: -1131.541 where: short stacking energy: -530.053 Base-Backbone interact. energy: -3.643 local terms energy: -581.630506 where: bonds (distance) C4'-P energy: -129.851 bonds (distance) P-C4' energy: -113.387 flat angles C4'-P-C4' energy: -145.434 flat angles P-C4'-P energy: -76.878 tors. eta vs tors. theta energy: -116.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1546.093540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.093540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.093540 (E_RNA) where: Base-Base interactions energy: -1002.475 where: short stacking energy: -430.747 Base-Backbone interact. energy: 3.068 local terms energy: -546.686740 where: bonds (distance) C4'-P energy: -107.592 bonds (distance) P-C4' energy: -124.243 flat angles C4'-P-C4' energy: -136.059 flat angles P-C4'-P energy: -95.166 tors. eta vs tors. theta energy: -83.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1403.470133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.470133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.470133 (E_RNA) where: Base-Base interactions energy: -892.887 where: short stacking energy: -391.875 Base-Backbone interact. energy: 1.283 local terms energy: -511.866387 where: bonds (distance) C4'-P energy: -104.139 bonds (distance) P-C4' energy: -115.815 flat angles C4'-P-C4' energy: -125.481 flat angles P-C4'-P energy: -86.059 tors. eta vs tors. theta energy: -80.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1131.319257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.319257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.319257 (E_RNA) where: Base-Base interactions energy: -689.372 where: short stacking energy: -316.296 Base-Backbone interact. energy: -3.032 local terms energy: -438.915714 where: bonds (distance) C4'-P energy: -106.997 bonds (distance) P-C4' energy: -134.858 flat angles C4'-P-C4' energy: -113.472 flat angles P-C4'-P energy: -66.238 tors. eta vs tors. theta energy: -17.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -784.392189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.392189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.392189 (E_RNA) where: Base-Base interactions energy: -362.837 where: short stacking energy: -218.478 Base-Backbone interact. energy: 2.391 local terms energy: -423.945786 where: bonds (distance) C4'-P energy: -107.903 bonds (distance) P-C4' energy: -157.046 flat angles C4'-P-C4' energy: -123.040 flat angles P-C4'-P energy: -57.329 tors. eta vs tors. theta energy: 21.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2617.936654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.936654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.936654 (E_RNA) where: Base-Base interactions energy: -1831.744 where: short stacking energy: -772.875 Base-Backbone interact. energy: -0.769 local terms energy: -785.423831 where: bonds (distance) C4'-P energy: -142.849 bonds (distance) P-C4' energy: -144.623 flat angles C4'-P-C4' energy: -176.445 flat angles P-C4'-P energy: -104.724 tors. eta vs tors. theta energy: -216.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2505.785084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.785084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.785084 (E_RNA) where: Base-Base interactions energy: -1698.415 where: short stacking energy: -736.596 Base-Backbone interact. energy: -3.066 local terms energy: -804.304348 where: bonds (distance) C4'-P energy: -148.197 bonds (distance) P-C4' energy: -157.945 flat angles C4'-P-C4' energy: -171.962 flat angles P-C4'-P energy: -108.319 tors. eta vs tors. theta energy: -217.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2349.287538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.287538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.287538 (E_RNA) where: Base-Base interactions energy: -1615.075 where: short stacking energy: -682.416 Base-Backbone interact. energy: 0.200 local terms energy: -734.412457 where: bonds (distance) C4'-P energy: -130.116 bonds (distance) P-C4' energy: -147.697 flat angles C4'-P-C4' energy: -152.350 flat angles P-C4'-P energy: -114.923 tors. eta vs tors. theta energy: -189.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2217.901087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.901087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.901087 (E_RNA) where: Base-Base interactions energy: -1514.751 where: short stacking energy: -642.819 Base-Backbone interact. energy: -2.468 local terms energy: -700.682005 where: bonds (distance) C4'-P energy: -124.240 bonds (distance) P-C4' energy: -133.800 flat angles C4'-P-C4' energy: -163.207 flat angles P-C4'-P energy: -102.571 tors. eta vs tors. theta energy: -176.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2145.058504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.058504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.058504 (E_RNA) where: Base-Base interactions energy: -1444.076 where: short stacking energy: -636.988 Base-Backbone interact. energy: -3.563 local terms energy: -697.419617 where: bonds (distance) C4'-P energy: -123.953 bonds (distance) P-C4' energy: -138.874 flat angles C4'-P-C4' energy: -156.471 flat angles P-C4'-P energy: -90.852 tors. eta vs tors. theta energy: -187.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1763.160732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.160732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.160732 (E_RNA) where: Base-Base interactions energy: -1123.555 where: short stacking energy: -506.666 Base-Backbone interact. energy: -3.983 local terms energy: -635.622965 where: bonds (distance) C4'-P energy: -136.275 bonds (distance) P-C4' energy: -142.160 flat angles C4'-P-C4' energy: -129.228 flat angles P-C4'-P energy: -93.939 tors. eta vs tors. theta energy: -134.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1559.911983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.911983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.911983 (E_RNA) where: Base-Base interactions energy: -1029.681 where: short stacking energy: -464.402 Base-Backbone interact. energy: -3.573 local terms energy: -526.657280 where: bonds (distance) C4'-P energy: -107.734 bonds (distance) P-C4' energy: -126.200 flat angles C4'-P-C4' energy: -126.970 flat angles P-C4'-P energy: -67.726 tors. eta vs tors. theta energy: -98.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1417.781538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.781538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.781538 (E_RNA) where: Base-Base interactions energy: -887.224 where: short stacking energy: -374.697 Base-Backbone interact. energy: -5.645 local terms energy: -525.554384 where: bonds (distance) C4'-P energy: -117.820 bonds (distance) P-C4' energy: -120.477 flat angles C4'-P-C4' energy: -124.387 flat angles P-C4'-P energy: -90.101 tors. eta vs tors. theta energy: -72.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.642 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1147.763863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.763863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.763863 (E_RNA) where: Base-Base interactions energy: -667.069 where: short stacking energy: -303.060 Base-Backbone interact. energy: 0.948 local terms energy: -481.643357 where: bonds (distance) C4'-P energy: -134.395 bonds (distance) P-C4' energy: -114.693 flat angles C4'-P-C4' energy: -138.233 flat angles P-C4'-P energy: -62.890 tors. eta vs tors. theta energy: -31.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -763.447996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.447996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.447996 (E_RNA) where: Base-Base interactions energy: -339.354 where: short stacking energy: -220.002 Base-Backbone interact. energy: -1.986 local terms energy: -422.108306 where: bonds (distance) C4'-P energy: -117.265 bonds (distance) P-C4' energy: -136.149 flat angles C4'-P-C4' energy: -91.560 flat angles P-C4'-P energy: -82.485 tors. eta vs tors. theta energy: 5.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2630.072215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.072215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.072215 (E_RNA) where: Base-Base interactions energy: -1840.258 where: short stacking energy: -773.085 Base-Backbone interact. energy: -0.024 local terms energy: -789.790334 where: bonds (distance) C4'-P energy: -137.981 bonds (distance) P-C4' energy: -150.042 flat angles C4'-P-C4' energy: -172.728 flat angles P-C4'-P energy: -99.841 tors. eta vs tors. theta energy: -229.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2514.849526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.849526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.849526 (E_RNA) where: Base-Base interactions energy: -1734.338 where: short stacking energy: -757.890 Base-Backbone interact. energy: -0.235 local terms energy: -780.277066 where: bonds (distance) C4'-P energy: -139.267 bonds (distance) P-C4' energy: -144.497 flat angles C4'-P-C4' energy: -164.213 flat angles P-C4'-P energy: -113.984 tors. eta vs tors. theta energy: -218.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2333.470611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.470611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.470611 (E_RNA) where: Base-Base interactions energy: -1600.834 where: short stacking energy: -680.302 Base-Backbone interact. energy: -2.149 local terms energy: -730.487841 where: bonds (distance) C4'-P energy: -125.801 bonds (distance) P-C4' energy: -147.600 flat angles C4'-P-C4' energy: -155.527 flat angles P-C4'-P energy: -108.127 tors. eta vs tors. theta energy: -193.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2207.360232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.360232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.360232 (E_RNA) where: Base-Base interactions energy: -1520.824 where: short stacking energy: -645.638 Base-Backbone interact. energy: 6.872 local terms energy: -693.408212 where: bonds (distance) C4'-P energy: -134.949 bonds (distance) P-C4' energy: -135.767 flat angles C4'-P-C4' energy: -154.323 flat angles P-C4'-P energy: -88.040 tors. eta vs tors. theta energy: -180.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2109.573508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.573508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.573508 (E_RNA) where: Base-Base interactions energy: -1467.393 where: short stacking energy: -617.431 Base-Backbone interact. energy: -0.672 local terms energy: -641.508515 where: bonds (distance) C4'-P energy: -125.025 bonds (distance) P-C4' energy: -121.540 flat angles C4'-P-C4' energy: -142.660 flat angles P-C4'-P energy: -87.566 tors. eta vs tors. theta energy: -164.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1835.521963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.521963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.521963 (E_RNA) where: Base-Base interactions energy: -1219.120 where: short stacking energy: -547.899 Base-Backbone interact. energy: -4.051 local terms energy: -612.351124 where: bonds (distance) C4'-P energy: -118.434 bonds (distance) P-C4' energy: -118.033 flat angles C4'-P-C4' energy: -132.543 flat angles P-C4'-P energy: -103.211 tors. eta vs tors. theta energy: -140.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1464.971994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.971994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.971994 (E_RNA) where: Base-Base interactions energy: -928.590 where: short stacking energy: -430.846 Base-Backbone interact. energy: 1.794 local terms energy: -538.175778 where: bonds (distance) C4'-P energy: -131.657 bonds (distance) P-C4' energy: -124.035 flat angles C4'-P-C4' energy: -118.905 flat angles P-C4'-P energy: -83.690 tors. eta vs tors. theta energy: -79.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1327.967816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.967816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.967816 (E_RNA) where: Base-Base interactions energy: -806.452 where: short stacking energy: -371.855 Base-Backbone interact. energy: 2.136 local terms energy: -523.651132 where: bonds (distance) C4'-P energy: -113.324 bonds (distance) P-C4' energy: -127.037 flat angles C4'-P-C4' energy: -119.263 flat angles P-C4'-P energy: -69.431 tors. eta vs tors. theta energy: -94.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1109.268826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.268826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.268826 (E_RNA) where: Base-Base interactions energy: -651.795 where: short stacking energy: -334.593 Base-Backbone interact. energy: -0.743 local terms energy: -456.730761 where: bonds (distance) C4'-P energy: -115.954 bonds (distance) P-C4' energy: -120.830 flat angles C4'-P-C4' energy: -121.142 flat angles P-C4'-P energy: -65.546 tors. eta vs tors. theta energy: -33.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -711.794875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.794875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.794875 (E_RNA) where: Base-Base interactions energy: -325.804 where: short stacking energy: -194.236 Base-Backbone interact. energy: 3.880 local terms energy: -389.870300 where: bonds (distance) C4'-P energy: -127.387 bonds (distance) P-C4' energy: -126.648 flat angles C4'-P-C4' energy: -85.414 flat angles P-C4'-P energy: -59.097 tors. eta vs tors. theta energy: 8.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2609.167631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.167631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.167631 (E_RNA) where: Base-Base interactions energy: -1822.749 where: short stacking energy: -752.808 Base-Backbone interact. energy: -2.109 local terms energy: -784.309414 where: bonds (distance) C4'-P energy: -153.458 bonds (distance) P-C4' energy: -138.602 flat angles C4'-P-C4' energy: -164.324 flat angles P-C4'-P energy: -106.404 tors. eta vs tors. theta energy: -221.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2522.420476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.420476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.420476 (E_RNA) where: Base-Base interactions energy: -1742.244 where: short stacking energy: -745.791 Base-Backbone interact. energy: -3.216 local terms energy: -776.960210 where: bonds (distance) C4'-P energy: -156.908 bonds (distance) P-C4' energy: -135.094 flat angles C4'-P-C4' energy: -161.182 flat angles P-C4'-P energy: -106.412 tors. eta vs tors. theta energy: -217.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2355.840642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.840642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.840642 (E_RNA) where: Base-Base interactions energy: -1631.023 where: short stacking energy: -708.861 Base-Backbone interact. energy: -3.931 local terms energy: -720.885909 where: bonds (distance) C4'-P energy: -120.274 bonds (distance) P-C4' energy: -134.183 flat angles C4'-P-C4' energy: -160.758 flat angles P-C4'-P energy: -112.299 tors. eta vs tors. theta energy: -193.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2195.955755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.955755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.955755 (E_RNA) where: Base-Base interactions energy: -1496.544 where: short stacking energy: -615.061 Base-Backbone interact. energy: -1.714 local terms energy: -697.697424 where: bonds (distance) C4'-P energy: -138.856 bonds (distance) P-C4' energy: -148.250 flat angles C4'-P-C4' energy: -148.270 flat angles P-C4'-P energy: -105.941 tors. eta vs tors. theta energy: -156.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2090.227205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.227205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.227205 (E_RNA) where: Base-Base interactions energy: -1418.950 where: short stacking energy: -589.760 Base-Backbone interact. energy: -1.775 local terms energy: -669.502181 where: bonds (distance) C4'-P energy: -129.406 bonds (distance) P-C4' energy: -125.078 flat angles C4'-P-C4' energy: -155.832 flat angles P-C4'-P energy: -96.302 tors. eta vs tors. theta energy: -162.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1850.284735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.284735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.284735 (E_RNA) where: Base-Base interactions energy: -1237.168 where: short stacking energy: -565.546 Base-Backbone interact. energy: -2.753 local terms energy: -610.363789 where: bonds (distance) C4'-P energy: -115.509 bonds (distance) P-C4' energy: -131.858 flat angles C4'-P-C4' energy: -131.542 flat angles P-C4'-P energy: -82.899 tors. eta vs tors. theta energy: -148.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1420.453159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.453159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.453159 (E_RNA) where: Base-Base interactions energy: -890.284 where: short stacking energy: -443.015 Base-Backbone interact. energy: 6.886 local terms energy: -537.054689 where: bonds (distance) C4'-P energy: -131.298 bonds (distance) P-C4' energy: -130.493 flat angles C4'-P-C4' energy: -127.477 flat angles P-C4'-P energy: -74.692 tors. eta vs tors. theta energy: -73.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1355.752531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.752531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.752531 (E_RNA) where: Base-Base interactions energy: -876.847 where: short stacking energy: -399.007 Base-Backbone interact. energy: 8.303 local terms energy: -487.209195 where: bonds (distance) C4'-P energy: -111.208 bonds (distance) P-C4' energy: -114.517 flat angles C4'-P-C4' energy: -112.888 flat angles P-C4'-P energy: -66.259 tors. eta vs tors. theta energy: -82.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1071.956176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.956176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.956176 (E_RNA) where: Base-Base interactions energy: -626.813 where: short stacking energy: -308.414 Base-Backbone interact. energy: 8.352 local terms energy: -453.495040 where: bonds (distance) C4'-P energy: -98.077 bonds (distance) P-C4' energy: -120.450 flat angles C4'-P-C4' energy: -127.578 flat angles P-C4'-P energy: -79.732 tors. eta vs tors. theta energy: -27.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -683.767717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.767717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.767717 (E_RNA) where: Base-Base interactions energy: -330.280 where: short stacking energy: -195.849 Base-Backbone interact. energy: -1.103 local terms energy: -352.385220 where: bonds (distance) C4'-P energy: -121.634 bonds (distance) P-C4' energy: -102.204 flat angles C4'-P-C4' energy: -90.492 flat angles P-C4'-P energy: -59.246 tors. eta vs tors. theta energy: 21.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2630.738618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.738618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.738618 (E_RNA) where: Base-Base interactions energy: -1831.699 where: short stacking energy: -744.204 Base-Backbone interact. energy: -3.359 local terms energy: -795.680240 where: bonds (distance) C4'-P energy: -150.225 bonds (distance) P-C4' energy: -158.225 flat angles C4'-P-C4' energy: -161.430 flat angles P-C4'-P energy: -105.379 tors. eta vs tors. theta energy: -220.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2533.376080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.376080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.376080 (E_RNA) where: Base-Base interactions energy: -1747.131 where: short stacking energy: -754.491 Base-Backbone interact. energy: -4.340 local terms energy: -781.904908 where: bonds (distance) C4'-P energy: -143.792 bonds (distance) P-C4' energy: -144.832 flat angles C4'-P-C4' energy: -164.887 flat angles P-C4'-P energy: -106.830 tors. eta vs tors. theta energy: -221.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2354.087885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.087885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.087885 (E_RNA) where: Base-Base interactions energy: -1606.248 where: short stacking energy: -698.010 Base-Backbone interact. energy: -1.397 local terms energy: -746.442473 where: bonds (distance) C4'-P energy: -126.083 bonds (distance) P-C4' energy: -150.896 flat angles C4'-P-C4' energy: -155.022 flat angles P-C4'-P energy: -106.478 tors. eta vs tors. theta energy: -207.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2187.975669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.975669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.975669 (E_RNA) where: Base-Base interactions energy: -1466.317 where: short stacking energy: -648.806 Base-Backbone interact. energy: 0.745 local terms energy: -722.403179 where: bonds (distance) C4'-P energy: -134.287 bonds (distance) P-C4' energy: -152.652 flat angles C4'-P-C4' energy: -155.592 flat angles P-C4'-P energy: -108.028 tors. eta vs tors. theta energy: -171.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2091.502157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.502157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.502157 (E_RNA) where: Base-Base interactions energy: -1422.940 where: short stacking energy: -608.029 Base-Backbone interact. energy: 1.912 local terms energy: -670.474911 where: bonds (distance) C4'-P energy: -126.930 bonds (distance) P-C4' energy: -119.058 flat angles C4'-P-C4' energy: -155.703 flat angles P-C4'-P energy: -103.398 tors. eta vs tors. theta energy: -165.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1835.835900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.835900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.835900 (E_RNA) where: Base-Base interactions energy: -1220.724 where: short stacking energy: -560.534 Base-Backbone interact. energy: 3.607 local terms energy: -618.719003 where: bonds (distance) C4'-P energy: -134.002 bonds (distance) P-C4' energy: -126.095 flat angles C4'-P-C4' energy: -129.465 flat angles P-C4'-P energy: -94.553 tors. eta vs tors. theta energy: -134.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1364.883383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.883383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.883383 (E_RNA) where: Base-Base interactions energy: -830.879 where: short stacking energy: -415.567 Base-Backbone interact. energy: -3.982 local terms energy: -530.022132 where: bonds (distance) C4'-P energy: -116.234 bonds (distance) P-C4' energy: -129.465 flat angles C4'-P-C4' energy: -120.708 flat angles P-C4'-P energy: -78.003 tors. eta vs tors. theta energy: -85.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1371.412425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.412425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.412425 (E_RNA) where: Base-Base interactions energy: -841.028 where: short stacking energy: -392.232 Base-Backbone interact. energy: -0.256 local terms energy: -530.128432 where: bonds (distance) C4'-P energy: -128.565 bonds (distance) P-C4' energy: -139.097 flat angles C4'-P-C4' energy: -118.475 flat angles P-C4'-P energy: -80.563 tors. eta vs tors. theta energy: -63.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1009.809109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.809109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.809109 (E_RNA) where: Base-Base interactions energy: -585.695 where: short stacking energy: -295.231 Base-Backbone interact. energy: -2.481 local terms energy: -422.560153 where: bonds (distance) C4'-P energy: -117.099 bonds (distance) P-C4' energy: -122.016 flat angles C4'-P-C4' energy: -96.744 flat angles P-C4'-P energy: -54.159 tors. eta vs tors. theta energy: -32.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.926 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -720.927715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.927715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.927715 (E_RNA) where: Base-Base interactions energy: -338.240 where: short stacking energy: -203.193 Base-Backbone interact. energy: -2.673 local terms energy: -380.013922 where: bonds (distance) C4'-P energy: -79.780 bonds (distance) P-C4' energy: -125.441 flat angles C4'-P-C4' energy: -124.685 flat angles P-C4'-P energy: -61.998 tors. eta vs tors. theta energy: 11.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2622.088639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.088639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.088639 (E_RNA) where: Base-Base interactions energy: -1814.553 where: short stacking energy: -741.218 Base-Backbone interact. energy: -1.189 local terms energy: -806.347265 where: bonds (distance) C4'-P energy: -147.456 bonds (distance) P-C4' energy: -156.704 flat angles C4'-P-C4' energy: -167.354 flat angles P-C4'-P energy: -119.887 tors. eta vs tors. theta energy: -214.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2525.611600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.611600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.611600 (E_RNA) where: Base-Base interactions energy: -1749.736 where: short stacking energy: -747.105 Base-Backbone interact. energy: -2.569 local terms energy: -773.306532 where: bonds (distance) C4'-P energy: -138.998 bonds (distance) P-C4' energy: -155.907 flat angles C4'-P-C4' energy: -163.816 flat angles P-C4'-P energy: -103.025 tors. eta vs tors. theta energy: -211.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2334.364141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.364141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.364141 (E_RNA) where: Base-Base interactions energy: -1580.841 where: short stacking energy: -679.748 Base-Backbone interact. energy: 1.109 local terms energy: -754.631223 where: bonds (distance) C4'-P energy: -147.123 bonds (distance) P-C4' energy: -141.505 flat angles C4'-P-C4' energy: -164.316 flat angles P-C4'-P energy: -111.764 tors. eta vs tors. theta energy: -189.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2195.982870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.982870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.982870 (E_RNA) where: Base-Base interactions energy: -1515.022 where: short stacking energy: -599.160 Base-Backbone interact. energy: 3.678 local terms energy: -684.639425 where: bonds (distance) C4'-P energy: -138.890 bonds (distance) P-C4' energy: -145.153 flat angles C4'-P-C4' energy: -145.394 flat angles P-C4'-P energy: -99.156 tors. eta vs tors. theta energy: -156.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2061.487453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.487453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.487453 (E_RNA) where: Base-Base interactions energy: -1349.385 where: short stacking energy: -566.929 Base-Backbone interact. energy: -1.076 local terms energy: -711.026257 where: bonds (distance) C4'-P energy: -145.880 bonds (distance) P-C4' energy: -151.891 flat angles C4'-P-C4' energy: -148.549 flat angles P-C4'-P energy: -99.603 tors. eta vs tors. theta energy: -165.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1773.194310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.194310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.194310 (E_RNA) where: Base-Base interactions energy: -1166.186 where: short stacking energy: -539.316 Base-Backbone interact. energy: -1.560 local terms energy: -605.448486 where: bonds (distance) C4'-P energy: -115.993 bonds (distance) P-C4' energy: -112.735 flat angles C4'-P-C4' energy: -148.854 flat angles P-C4'-P energy: -87.885 tors. eta vs tors. theta energy: -139.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1429.730853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.730853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.730853 (E_RNA) where: Base-Base interactions energy: -857.272 where: short stacking energy: -394.598 Base-Backbone interact. energy: 0.022 local terms energy: -572.481100 where: bonds (distance) C4'-P energy: -114.566 bonds (distance) P-C4' energy: -147.052 flat angles C4'-P-C4' energy: -139.740 flat angles P-C4'-P energy: -92.503 tors. eta vs tors. theta energy: -78.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1262.246708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.246708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.246708 (E_RNA) where: Base-Base interactions energy: -750.501 where: short stacking energy: -370.681 Base-Backbone interact. energy: 1.008 local terms energy: -512.754072 where: bonds (distance) C4'-P energy: -121.118 bonds (distance) P-C4' energy: -137.837 flat angles C4'-P-C4' energy: -118.606 flat angles P-C4'-P energy: -75.758 tors. eta vs tors. theta energy: -59.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -987.786186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.786186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.786186 (E_RNA) where: Base-Base interactions energy: -564.587 where: short stacking energy: -272.635 Base-Backbone interact. energy: -2.222 local terms energy: -420.977201 where: bonds (distance) C4'-P energy: -123.145 bonds (distance) P-C4' energy: -124.307 flat angles C4'-P-C4' energy: -102.654 flat angles P-C4'-P energy: -60.300 tors. eta vs tors. theta energy: -10.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -773.691218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.691218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.691218 (E_RNA) where: Base-Base interactions energy: -376.073 where: short stacking energy: -227.817 Base-Backbone interact. energy: 5.547 local terms energy: -403.164536 where: bonds (distance) C4'-P energy: -112.482 bonds (distance) P-C4' energy: -113.454 flat angles C4'-P-C4' energy: -97.481 flat angles P-C4'-P energy: -67.675 tors. eta vs tors. theta energy: -12.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2655.716884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.716884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.716884 (E_RNA) where: Base-Base interactions energy: -1827.455 where: short stacking energy: -766.184 Base-Backbone interact. energy: -2.044 local terms energy: -826.217920 where: bonds (distance) C4'-P energy: -145.068 bonds (distance) P-C4' energy: -159.677 flat angles C4'-P-C4' energy: -174.528 flat angles P-C4'-P energy: -115.371 tors. eta vs tors. theta energy: -231.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2499.903373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.903373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.903373 (E_RNA) where: Base-Base interactions energy: -1715.966 where: short stacking energy: -742.942 Base-Backbone interact. energy: -0.658 local terms energy: -783.279526 where: bonds (distance) C4'-P energy: -152.449 bonds (distance) P-C4' energy: -144.818 flat angles C4'-P-C4' energy: -156.332 flat angles P-C4'-P energy: -114.224 tors. eta vs tors. theta energy: -215.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2351.214149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.214149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.214149 (E_RNA) where: Base-Base interactions energy: -1603.555 where: short stacking energy: -703.216 Base-Backbone interact. energy: -2.975 local terms energy: -744.683884 where: bonds (distance) C4'-P energy: -120.723 bonds (distance) P-C4' energy: -146.068 flat angles C4'-P-C4' energy: -160.220 flat angles P-C4'-P energy: -112.747 tors. eta vs tors. theta energy: -204.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2199.928399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.928399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.928399 (E_RNA) where: Base-Base interactions energy: -1513.655 where: short stacking energy: -614.767 Base-Backbone interact. energy: 1.887 local terms energy: -688.160278 where: bonds (distance) C4'-P energy: -137.444 bonds (distance) P-C4' energy: -133.700 flat angles C4'-P-C4' energy: -155.818 flat angles P-C4'-P energy: -102.933 tors. eta vs tors. theta energy: -158.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2018.187400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.187400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.187400 (E_RNA) where: Base-Base interactions energy: -1330.349 where: short stacking energy: -577.485 Base-Backbone interact. energy: -1.734 local terms energy: -686.104601 where: bonds (distance) C4'-P energy: -140.611 bonds (distance) P-C4' energy: -130.174 flat angles C4'-P-C4' energy: -148.521 flat angles P-C4'-P energy: -112.847 tors. eta vs tors. theta energy: -153.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1722.988630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.988630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.988630 (E_RNA) where: Base-Base interactions energy: -1120.994 where: short stacking energy: -526.000 Base-Backbone interact. energy: 0.060 local terms energy: -602.055267 where: bonds (distance) C4'-P energy: -136.399 bonds (distance) P-C4' energy: -132.059 flat angles C4'-P-C4' energy: -129.819 flat angles P-C4'-P energy: -83.814 tors. eta vs tors. theta energy: -119.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1402.570081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.570081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.570081 (E_RNA) where: Base-Base interactions energy: -866.472 where: short stacking energy: -403.656 Base-Backbone interact. energy: 4.000 local terms energy: -540.097393 where: bonds (distance) C4'-P energy: -147.518 bonds (distance) P-C4' energy: -124.269 flat angles C4'-P-C4' energy: -108.447 flat angles P-C4'-P energy: -74.680 tors. eta vs tors. theta energy: -85.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1200.992411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.992411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.992411 (E_RNA) where: Base-Base interactions energy: -736.334 where: short stacking energy: -344.324 Base-Backbone interact. energy: 2.550 local terms energy: -467.208295 where: bonds (distance) C4'-P energy: -105.688 bonds (distance) P-C4' energy: -123.411 flat angles C4'-P-C4' energy: -128.270 flat angles P-C4'-P energy: -63.505 tors. eta vs tors. theta energy: -46.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1053.581512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.581512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.581512 (E_RNA) where: Base-Base interactions energy: -571.056 where: short stacking energy: -308.247 Base-Backbone interact. energy: 1.330 local terms energy: -483.855809 where: bonds (distance) C4'-P energy: -97.720 bonds (distance) P-C4' energy: -147.464 flat angles C4'-P-C4' energy: -104.781 flat angles P-C4'-P energy: -83.907 tors. eta vs tors. theta energy: -49.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -760.309631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.309631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.309631 (E_RNA) where: Base-Base interactions energy: -358.188 where: short stacking energy: -203.355 Base-Backbone interact. energy: 5.374 local terms energy: -407.495934 where: bonds (distance) C4'-P energy: -118.269 bonds (distance) P-C4' energy: -123.357 flat angles C4'-P-C4' energy: -107.504 flat angles P-C4'-P energy: -75.710 tors. eta vs tors. theta energy: 17.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2640.926209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.926209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.926209 (E_RNA) where: Base-Base interactions energy: -1832.228 where: short stacking energy: -770.088 Base-Backbone interact. energy: -3.154 local terms energy: -805.544058 where: bonds (distance) C4'-P energy: -145.187 bonds (distance) P-C4' energy: -145.926 flat angles C4'-P-C4' energy: -161.660 flat angles P-C4'-P energy: -111.026 tors. eta vs tors. theta energy: -241.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2529.368899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.368899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.368899 (E_RNA) where: Base-Base interactions energy: -1742.820 where: short stacking energy: -756.197 Base-Backbone interact. energy: -4.702 local terms energy: -781.847675 where: bonds (distance) C4'-P energy: -142.608 bonds (distance) P-C4' energy: -137.436 flat angles C4'-P-C4' energy: -168.807 flat angles P-C4'-P energy: -112.681 tors. eta vs tors. theta energy: -220.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2364.110095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.110095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.110095 (E_RNA) where: Base-Base interactions energy: -1621.303 where: short stacking energy: -702.919 Base-Backbone interact. energy: -3.261 local terms energy: -739.546271 where: bonds (distance) C4'-P energy: -135.958 bonds (distance) P-C4' energy: -137.650 flat angles C4'-P-C4' energy: -152.259 flat angles P-C4'-P energy: -120.078 tors. eta vs tors. theta energy: -193.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2221.677806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.677806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.677806 (E_RNA) where: Base-Base interactions energy: -1520.236 where: short stacking energy: -665.868 Base-Backbone interact. energy: -1.095 local terms energy: -700.346131 where: bonds (distance) C4'-P energy: -133.696 bonds (distance) P-C4' energy: -125.562 flat angles C4'-P-C4' energy: -167.381 flat angles P-C4'-P energy: -96.479 tors. eta vs tors. theta energy: -177.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2070.299688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.299688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.299688 (E_RNA) where: Base-Base interactions energy: -1395.168 where: short stacking energy: -596.591 Base-Backbone interact. energy: -0.234 local terms energy: -674.897639 where: bonds (distance) C4'-P energy: -127.029 bonds (distance) P-C4' energy: -130.017 flat angles C4'-P-C4' energy: -157.771 flat angles P-C4'-P energy: -90.912 tors. eta vs tors. theta energy: -169.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1754.032258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.032258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.032258 (E_RNA) where: Base-Base interactions energy: -1137.353 where: short stacking energy: -510.142 Base-Backbone interact. energy: -0.131 local terms energy: -616.548079 where: bonds (distance) C4'-P energy: -106.015 bonds (distance) P-C4' energy: -141.494 flat angles C4'-P-C4' energy: -139.176 flat angles P-C4'-P energy: -102.532 tors. eta vs tors. theta energy: -127.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1453.774451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.774451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.774451 (E_RNA) where: Base-Base interactions energy: -911.931 where: short stacking energy: -428.698 Base-Backbone interact. energy: -2.773 local terms energy: -539.069745 where: bonds (distance) C4'-P energy: -132.506 bonds (distance) P-C4' energy: -130.015 flat angles C4'-P-C4' energy: -128.780 flat angles P-C4'-P energy: -68.747 tors. eta vs tors. theta energy: -79.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1224.918699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.918699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.918699 (E_RNA) where: Base-Base interactions energy: -739.143 where: short stacking energy: -375.344 Base-Backbone interact. energy: -2.676 local terms energy: -483.100283 where: bonds (distance) C4'-P energy: -124.632 bonds (distance) P-C4' energy: -128.621 flat angles C4'-P-C4' energy: -106.972 flat angles P-C4'-P energy: -62.610 tors. eta vs tors. theta energy: -60.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1027.999021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.999021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.999021 (E_RNA) where: Base-Base interactions energy: -581.470 where: short stacking energy: -292.880 Base-Backbone interact. energy: -5.117 local terms energy: -441.411603 where: bonds (distance) C4'-P energy: -112.880 bonds (distance) P-C4' energy: -122.862 flat angles C4'-P-C4' energy: -93.273 flat angles P-C4'-P energy: -78.012 tors. eta vs tors. theta energy: -34.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -746.600025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.600025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.600025 (E_RNA) where: Base-Base interactions energy: -332.410 where: short stacking energy: -196.276 Base-Backbone interact. energy: -3.150 local terms energy: -411.039967 where: bonds (distance) C4'-P energy: -115.088 bonds (distance) P-C4' energy: -134.711 flat angles C4'-P-C4' energy: -108.770 flat angles P-C4'-P energy: -68.465 tors. eta vs tors. theta energy: 15.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2644.826819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.826819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.826819 (E_RNA) where: Base-Base interactions energy: -1824.752 where: short stacking energy: -764.583 Base-Backbone interact. energy: -2.697 local terms energy: -817.377385 where: bonds (distance) C4'-P energy: -153.712 bonds (distance) P-C4' energy: -144.271 flat angles C4'-P-C4' energy: -176.976 flat angles P-C4'-P energy: -112.991 tors. eta vs tors. theta energy: -229.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2472.912521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.912521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.912521 (E_RNA) where: Base-Base interactions energy: -1686.242 where: short stacking energy: -731.353 Base-Backbone interact. energy: -3.143 local terms energy: -783.528013 where: bonds (distance) C4'-P energy: -142.460 bonds (distance) P-C4' energy: -146.298 flat angles C4'-P-C4' energy: -163.529 flat angles P-C4'-P energy: -113.448 tors. eta vs tors. theta energy: -217.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2438.565398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.565398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.565398 (E_RNA) where: Base-Base interactions energy: -1689.692 where: short stacking energy: -687.417 Base-Backbone interact. energy: -1.196 local terms energy: -747.677640 where: bonds (distance) C4'-P energy: -141.111 bonds (distance) P-C4' energy: -142.157 flat angles C4'-P-C4' energy: -152.425 flat angles P-C4'-P energy: -104.378 tors. eta vs tors. theta energy: -207.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2192.020429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.020429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.020429 (E_RNA) where: Base-Base interactions energy: -1508.588 where: short stacking energy: -641.485 Base-Backbone interact. energy: -1.860 local terms energy: -681.572414 where: bonds (distance) C4'-P energy: -112.862 bonds (distance) P-C4' energy: -147.740 flat angles C4'-P-C4' energy: -143.819 flat angles P-C4'-P energy: -103.616 tors. eta vs tors. theta energy: -173.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2133.990048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.990048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.990048 (E_RNA) where: Base-Base interactions energy: -1452.749 where: short stacking energy: -631.115 Base-Backbone interact. energy: 0.434 local terms energy: -681.675170 where: bonds (distance) C4'-P energy: -116.210 bonds (distance) P-C4' energy: -131.152 flat angles C4'-P-C4' energy: -151.392 flat angles P-C4'-P energy: -102.315 tors. eta vs tors. theta energy: -180.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1761.868593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.868593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.868593 (E_RNA) where: Base-Base interactions energy: -1175.883 where: short stacking energy: -535.342 Base-Backbone interact. energy: -2.841 local terms energy: -583.144564 where: bonds (distance) C4'-P energy: -118.750 bonds (distance) P-C4' energy: -127.906 flat angles C4'-P-C4' energy: -136.469 flat angles P-C4'-P energy: -64.751 tors. eta vs tors. theta energy: -135.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1454.696161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.696161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.696161 (E_RNA) where: Base-Base interactions energy: -910.242 where: short stacking energy: -401.578 Base-Backbone interact. energy: -0.560 local terms energy: -543.893832 where: bonds (distance) C4'-P energy: -123.790 bonds (distance) P-C4' energy: -128.699 flat angles C4'-P-C4' energy: -141.841 flat angles P-C4'-P energy: -62.739 tors. eta vs tors. theta energy: -86.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1098.326242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.326242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.326242 (E_RNA) where: Base-Base interactions energy: -606.982 where: short stacking energy: -292.895 Base-Backbone interact. energy: -1.345 local terms energy: -489.999512 where: bonds (distance) C4'-P energy: -119.844 bonds (distance) P-C4' energy: -137.475 flat angles C4'-P-C4' energy: -108.191 flat angles P-C4'-P energy: -89.142 tors. eta vs tors. theta energy: -35.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1142.227239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.227239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.227239 (E_RNA) where: Base-Base interactions energy: -684.031 where: short stacking energy: -324.274 Base-Backbone interact. energy: 8.447 local terms energy: -466.642859 where: bonds (distance) C4'-P energy: -108.141 bonds (distance) P-C4' energy: -117.930 flat angles C4'-P-C4' energy: -122.264 flat angles P-C4'-P energy: -85.584 tors. eta vs tors. theta energy: -32.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -788.812590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.812590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.812590 (E_RNA) where: Base-Base interactions energy: -368.862 where: short stacking energy: -228.171 Base-Backbone interact. energy: -1.944 local terms energy: -418.742424 where: bonds (distance) C4'-P energy: -105.955 bonds (distance) P-C4' energy: -128.385 flat angles C4'-P-C4' energy: -104.606 flat angles P-C4'-P energy: -69.756 tors. eta vs tors. theta energy: -10.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.735 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2609.369865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.369865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.369865 (E_RNA) where: Base-Base interactions energy: -1813.405 where: short stacking energy: -778.613 Base-Backbone interact. energy: -2.872 local terms energy: -793.093181 where: bonds (distance) C4'-P energy: -147.181 bonds (distance) P-C4' energy: -159.524 flat angles C4'-P-C4' energy: -161.585 flat angles P-C4'-P energy: -102.223 tors. eta vs tors. theta energy: -222.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2488.174230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.174230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.174230 (E_RNA) where: Base-Base interactions energy: -1716.807 where: short stacking energy: -773.778 Base-Backbone interact. energy: -4.007 local terms energy: -767.360286 where: bonds (distance) C4'-P energy: -137.796 bonds (distance) P-C4' energy: -130.564 flat angles C4'-P-C4' energy: -160.720 flat angles P-C4'-P energy: -110.577 tors. eta vs tors. theta energy: -227.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2415.822257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.822257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.822257 (E_RNA) where: Base-Base interactions energy: -1680.034 where: short stacking energy: -722.158 Base-Backbone interact. energy: -0.582 local terms energy: -735.205983 where: bonds (distance) C4'-P energy: -125.853 bonds (distance) P-C4' energy: -135.642 flat angles C4'-P-C4' energy: -159.780 flat angles P-C4'-P energy: -101.243 tors. eta vs tors. theta energy: -212.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2175.217942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.217942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.217942 (E_RNA) where: Base-Base interactions energy: -1507.101 where: short stacking energy: -638.119 Base-Backbone interact. energy: 2.397 local terms energy: -670.513510 where: bonds (distance) C4'-P energy: -131.409 bonds (distance) P-C4' energy: -133.747 flat angles C4'-P-C4' energy: -146.268 flat angles P-C4'-P energy: -93.156 tors. eta vs tors. theta energy: -165.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2099.818251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.818251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.818251 (E_RNA) where: Base-Base interactions energy: -1404.887 where: short stacking energy: -604.439 Base-Backbone interact. energy: -1.577 local terms energy: -693.353834 where: bonds (distance) C4'-P energy: -119.642 bonds (distance) P-C4' energy: -155.073 flat angles C4'-P-C4' energy: -147.733 flat angles P-C4'-P energy: -96.316 tors. eta vs tors. theta energy: -174.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1772.665635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.665635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.665635 (E_RNA) where: Base-Base interactions energy: -1151.343 where: short stacking energy: -543.393 Base-Backbone interact. energy: 0.633 local terms energy: -621.954898 where: bonds (distance) C4'-P energy: -118.839 bonds (distance) P-C4' energy: -128.258 flat angles C4'-P-C4' energy: -144.360 flat angles P-C4'-P energy: -94.888 tors. eta vs tors. theta energy: -135.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1540.947740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.947740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.947740 (E_RNA) where: Base-Base interactions energy: -979.256 where: short stacking energy: -432.489 Base-Backbone interact. energy: 4.601 local terms energy: -566.292614 where: bonds (distance) C4'-P energy: -130.924 bonds (distance) P-C4' energy: -135.795 flat angles C4'-P-C4' energy: -115.010 flat angles P-C4'-P energy: -86.751 tors. eta vs tors. theta energy: -97.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1090.963080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.963080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.963080 (E_RNA) where: Base-Base interactions energy: -643.283 where: short stacking energy: -308.396 Base-Backbone interact. energy: 3.831 local terms energy: -451.510801 where: bonds (distance) C4'-P energy: -100.605 bonds (distance) P-C4' energy: -119.692 flat angles C4'-P-C4' energy: -122.992 flat angles P-C4'-P energy: -69.244 tors. eta vs tors. theta energy: -38.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1211.318962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.318962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.318962 (E_RNA) where: Base-Base interactions energy: -707.251 where: short stacking energy: -341.010 Base-Backbone interact. energy: -0.672 local terms energy: -503.395673 where: bonds (distance) C4'-P energy: -118.273 bonds (distance) P-C4' energy: -111.061 flat angles C4'-P-C4' energy: -138.263 flat angles P-C4'-P energy: -90.893 tors. eta vs tors. theta energy: -44.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -783.567152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.567152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.567152 (E_RNA) where: Base-Base interactions energy: -377.090 where: short stacking energy: -214.609 Base-Backbone interact. energy: 4.947 local terms energy: -411.424554 where: bonds (distance) C4'-P energy: -99.157 bonds (distance) P-C4' energy: -149.823 flat angles C4'-P-C4' energy: -95.797 flat angles P-C4'-P energy: -75.900 tors. eta vs tors. theta energy: 9.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2609.661224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.661224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.661224 (E_RNA) where: Base-Base interactions energy: -1798.890 where: short stacking energy: -750.886 Base-Backbone interact. energy: -2.718 local terms energy: -808.053312 where: bonds (distance) C4'-P energy: -146.629 bonds (distance) P-C4' energy: -149.497 flat angles C4'-P-C4' energy: -170.577 flat angles P-C4'-P energy: -109.434 tors. eta vs tors. theta energy: -231.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2473.043056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.043056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.043056 (E_RNA) where: Base-Base interactions energy: -1695.014 where: short stacking energy: -741.180 Base-Backbone interact. energy: -0.604 local terms energy: -777.425309 where: bonds (distance) C4'-P energy: -150.538 bonds (distance) P-C4' energy: -150.826 flat angles C4'-P-C4' energy: -154.426 flat angles P-C4'-P energy: -101.767 tors. eta vs tors. theta energy: -219.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2385.743842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.743842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.743842 (E_RNA) where: Base-Base interactions energy: -1643.293 where: short stacking energy: -703.932 Base-Backbone interact. energy: -5.460 local terms energy: -736.991329 where: bonds (distance) C4'-P energy: -147.591 bonds (distance) P-C4' energy: -128.519 flat angles C4'-P-C4' energy: -158.705 flat angles P-C4'-P energy: -97.042 tors. eta vs tors. theta energy: -205.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2159.685308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.685308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.685308 (E_RNA) where: Base-Base interactions energy: -1452.613 where: short stacking energy: -637.047 Base-Backbone interact. energy: -0.121 local terms energy: -706.951515 where: bonds (distance) C4'-P energy: -146.138 bonds (distance) P-C4' energy: -132.334 flat angles C4'-P-C4' energy: -148.744 flat angles P-C4'-P energy: -104.017 tors. eta vs tors. theta energy: -175.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2096.575482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.575482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.575482 (E_RNA) where: Base-Base interactions energy: -1438.334 where: short stacking energy: -593.266 Base-Backbone interact. energy: -1.673 local terms energy: -656.568682 where: bonds (distance) C4'-P energy: -123.212 bonds (distance) P-C4' energy: -124.038 flat angles C4'-P-C4' energy: -153.345 flat angles P-C4'-P energy: -98.167 tors. eta vs tors. theta energy: -157.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1751.147088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.147088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.147088 (E_RNA) where: Base-Base interactions energy: -1107.519 where: short stacking energy: -528.886 Base-Backbone interact. energy: 4.672 local terms energy: -648.300619 where: bonds (distance) C4'-P energy: -142.343 bonds (distance) P-C4' energy: -144.035 flat angles C4'-P-C4' energy: -147.629 flat angles P-C4'-P energy: -93.832 tors. eta vs tors. theta energy: -120.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1576.380273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.380273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.380273 (E_RNA) where: Base-Base interactions energy: -1013.876 where: short stacking energy: -475.643 Base-Backbone interact. energy: -2.216 local terms energy: -560.288252 where: bonds (distance) C4'-P energy: -128.364 bonds (distance) P-C4' energy: -134.384 flat angles C4'-P-C4' energy: -122.504 flat angles P-C4'-P energy: -80.087 tors. eta vs tors. theta energy: -94.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1263.250284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.250284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.250284 (E_RNA) where: Base-Base interactions energy: -769.814 where: short stacking energy: -373.367 Base-Backbone interact. energy: -2.893 local terms energy: -490.543615 where: bonds (distance) C4'-P energy: -104.745 bonds (distance) P-C4' energy: -122.139 flat angles C4'-P-C4' energy: -123.810 flat angles P-C4'-P energy: -72.381 tors. eta vs tors. theta energy: -67.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -997.218256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.218256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.218256 (E_RNA) where: Base-Base interactions energy: -561.716 where: short stacking energy: -281.335 Base-Backbone interact. energy: 1.665 local terms energy: -437.167485 where: bonds (distance) C4'-P energy: -135.661 bonds (distance) P-C4' energy: -120.965 flat angles C4'-P-C4' energy: -108.815 flat angles P-C4'-P energy: -60.047 tors. eta vs tors. theta energy: -11.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -816.722285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.722285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.722285 (E_RNA) where: Base-Base interactions energy: -427.019 where: short stacking energy: -235.760 Base-Backbone interact. energy: 6.443 local terms energy: -396.146229 where: bonds (distance) C4'-P energy: -112.902 bonds (distance) P-C4' energy: -123.212 flat angles C4'-P-C4' energy: -106.830 flat angles P-C4'-P energy: -53.078 tors. eta vs tors. theta energy: -0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2646.407500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.407500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.407500 (E_RNA) where: Base-Base interactions energy: -1830.416 where: short stacking energy: -748.189 Base-Backbone interact. energy: -2.514 local terms energy: -813.477574 where: bonds (distance) C4'-P energy: -142.054 bonds (distance) P-C4' energy: -146.085 flat angles C4'-P-C4' energy: -178.556 flat angles P-C4'-P energy: -125.507 tors. eta vs tors. theta energy: -221.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2511.884847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.884847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.884847 (E_RNA) where: Base-Base interactions energy: -1698.139 where: short stacking energy: -747.818 Base-Backbone interact. energy: -2.003 local terms energy: -811.742773 where: bonds (distance) C4'-P energy: -140.126 bonds (distance) P-C4' energy: -158.809 flat angles C4'-P-C4' energy: -172.493 flat angles P-C4'-P energy: -114.328 tors. eta vs tors. theta energy: -225.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2386.701855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.701855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.701855 (E_RNA) where: Base-Base interactions energy: -1643.661 where: short stacking energy: -683.866 Base-Backbone interact. energy: -1.122 local terms energy: -741.918890 where: bonds (distance) C4'-P energy: -129.896 bonds (distance) P-C4' energy: -134.135 flat angles C4'-P-C4' energy: -158.865 flat angles P-C4'-P energy: -104.004 tors. eta vs tors. theta energy: -215.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2140.541860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.541860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.541860 (E_RNA) where: Base-Base interactions energy: -1438.274 where: short stacking energy: -598.342 Base-Backbone interact. energy: 0.780 local terms energy: -703.047822 where: bonds (distance) C4'-P energy: -135.321 bonds (distance) P-C4' energy: -132.898 flat angles C4'-P-C4' energy: -162.347 flat angles P-C4'-P energy: -105.106 tors. eta vs tors. theta energy: -167.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2081.826180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.826180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.826180 (E_RNA) where: Base-Base interactions energy: -1438.865 where: short stacking energy: -589.057 Base-Backbone interact. energy: -3.955 local terms energy: -639.006488 where: bonds (distance) C4'-P energy: -113.085 bonds (distance) P-C4' energy: -134.275 flat angles C4'-P-C4' energy: -153.762 flat angles P-C4'-P energy: -92.620 tors. eta vs tors. theta energy: -145.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1741.686278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.686278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.686278 (E_RNA) where: Base-Base interactions energy: -1134.660 where: short stacking energy: -511.593 Base-Backbone interact. energy: -1.647 local terms energy: -605.379742 where: bonds (distance) C4'-P energy: -127.003 bonds (distance) P-C4' energy: -132.498 flat angles C4'-P-C4' energy: -146.137 flat angles P-C4'-P energy: -80.225 tors. eta vs tors. theta energy: -119.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1528.245961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.245961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.245961 (E_RNA) where: Base-Base interactions energy: -974.481 where: short stacking energy: -430.001 Base-Backbone interact. energy: -2.048 local terms energy: -551.717172 where: bonds (distance) C4'-P energy: -122.851 bonds (distance) P-C4' energy: -137.408 flat angles C4'-P-C4' energy: -126.150 flat angles P-C4'-P energy: -84.129 tors. eta vs tors. theta energy: -81.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1246.491124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.491124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.491124 (E_RNA) where: Base-Base interactions energy: -770.812 where: short stacking energy: -334.449 Base-Backbone interact. energy: -4.844 local terms energy: -470.835348 where: bonds (distance) C4'-P energy: -110.058 bonds (distance) P-C4' energy: -125.258 flat angles C4'-P-C4' energy: -118.741 flat angles P-C4'-P energy: -71.510 tors. eta vs tors. theta energy: -45.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -986.771394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.771394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.771394 (E_RNA) where: Base-Base interactions energy: -531.893 where: short stacking energy: -284.750 Base-Backbone interact. energy: -0.779 local terms energy: -454.099164 where: bonds (distance) C4'-P energy: -128.320 bonds (distance) P-C4' energy: -120.057 flat angles C4'-P-C4' energy: -107.524 flat angles P-C4'-P energy: -69.995 tors. eta vs tors. theta energy: -28.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -777.014518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.014518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.014518 (E_RNA) where: Base-Base interactions energy: -379.307 where: short stacking energy: -174.642 Base-Backbone interact. energy: -3.091 local terms energy: -394.617268 where: bonds (distance) C4'-P energy: -103.213 bonds (distance) P-C4' energy: -135.278 flat angles C4'-P-C4' energy: -95.821 flat angles P-C4'-P energy: -67.510 tors. eta vs tors. theta energy: 7.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2608.954267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.954267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.954267 (E_RNA) where: Base-Base interactions energy: -1809.226 where: short stacking energy: -750.393 Base-Backbone interact. energy: -2.915 local terms energy: -796.813565 where: bonds (distance) C4'-P energy: -147.060 bonds (distance) P-C4' energy: -147.463 flat angles C4'-P-C4' energy: -174.198 flat angles P-C4'-P energy: -107.271 tors. eta vs tors. theta energy: -220.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2475.857808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.857808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.857808 (E_RNA) where: Base-Base interactions energy: -1686.283 where: short stacking energy: -715.992 Base-Backbone interact. energy: -2.372 local terms energy: -787.203488 where: bonds (distance) C4'-P energy: -137.732 bonds (distance) P-C4' energy: -155.647 flat angles C4'-P-C4' energy: -171.527 flat angles P-C4'-P energy: -107.324 tors. eta vs tors. theta energy: -214.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2363.850564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.850564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.850564 (E_RNA) where: Base-Base interactions energy: -1618.701 where: short stacking energy: -711.701 Base-Backbone interact. energy: -2.298 local terms energy: -742.851725 where: bonds (distance) C4'-P energy: -137.056 bonds (distance) P-C4' energy: -136.624 flat angles C4'-P-C4' energy: -158.224 flat angles P-C4'-P energy: -97.795 tors. eta vs tors. theta energy: -213.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2155.668379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.668379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.668379 (E_RNA) where: Base-Base interactions energy: -1458.690 where: short stacking energy: -608.339 Base-Backbone interact. energy: -4.081 local terms energy: -692.897317 where: bonds (distance) C4'-P energy: -124.990 bonds (distance) P-C4' energy: -142.518 flat angles C4'-P-C4' energy: -157.595 flat angles P-C4'-P energy: -102.933 tors. eta vs tors. theta energy: -164.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2041.496946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.496946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.496946 (E_RNA) where: Base-Base interactions energy: -1358.949 where: short stacking energy: -581.589 Base-Backbone interact. energy: 1.864 local terms energy: -684.411375 where: bonds (distance) C4'-P energy: -139.461 bonds (distance) P-C4' energy: -144.066 flat angles C4'-P-C4' energy: -159.978 flat angles P-C4'-P energy: -89.178 tors. eta vs tors. theta energy: -151.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1755.576939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.576939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.576939 (E_RNA) where: Base-Base interactions energy: -1161.457 where: short stacking energy: -536.644 Base-Backbone interact. energy: 5.158 local terms energy: -599.277699 where: bonds (distance) C4'-P energy: -114.319 bonds (distance) P-C4' energy: -133.048 flat angles C4'-P-C4' energy: -144.327 flat angles P-C4'-P energy: -82.762 tors. eta vs tors. theta energy: -124.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1498.839113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.839113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.839113 (E_RNA) where: Base-Base interactions energy: -964.183 where: short stacking energy: -440.156 Base-Backbone interact. energy: -0.610 local terms energy: -534.046519 where: bonds (distance) C4'-P energy: -117.302 bonds (distance) P-C4' energy: -138.184 flat angles C4'-P-C4' energy: -118.580 flat angles P-C4'-P energy: -73.980 tors. eta vs tors. theta energy: -86.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1221.110871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.110871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.110871 (E_RNA) where: Base-Base interactions energy: -708.140 where: short stacking energy: -338.880 Base-Backbone interact. energy: -2.579 local terms energy: -510.391122 where: bonds (distance) C4'-P energy: -130.548 bonds (distance) P-C4' energy: -136.609 flat angles C4'-P-C4' energy: -114.831 flat angles P-C4'-P energy: -85.295 tors. eta vs tors. theta energy: -43.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1034.693857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.693857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.693857 (E_RNA) where: Base-Base interactions energy: -574.860 where: short stacking energy: -299.017 Base-Backbone interact. energy: 7.233 local terms energy: -467.066673 where: bonds (distance) C4'-P energy: -111.560 bonds (distance) P-C4' energy: -122.894 flat angles C4'-P-C4' energy: -135.656 flat angles P-C4'-P energy: -70.689 tors. eta vs tors. theta energy: -26.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -818.327370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.327370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.327370 (E_RNA) where: Base-Base interactions energy: -406.660 where: short stacking energy: -235.187 Base-Backbone interact. energy: 2.741 local terms energy: -414.408507 where: bonds (distance) C4'-P energy: -93.755 bonds (distance) P-C4' energy: -141.719 flat angles C4'-P-C4' energy: -118.361 flat angles P-C4'-P energy: -57.610 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2636.090829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.090829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.090829 (E_RNA) where: Base-Base interactions energy: -1835.554 where: short stacking energy: -762.773 Base-Backbone interact. energy: 0.795 local terms energy: -801.332121 where: bonds (distance) C4'-P energy: -141.534 bonds (distance) P-C4' energy: -153.050 flat angles C4'-P-C4' energy: -174.763 flat angles P-C4'-P energy: -113.639 tors. eta vs tors. theta energy: -218.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2529.229347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.229347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.229347 (E_RNA) where: Base-Base interactions energy: -1720.388 where: short stacking energy: -752.907 Base-Backbone interact. energy: -3.279 local terms energy: -805.562968 where: bonds (distance) C4'-P energy: -149.137 bonds (distance) P-C4' energy: -146.652 flat angles C4'-P-C4' energy: -166.523 flat angles P-C4'-P energy: -112.940 tors. eta vs tors. theta energy: -230.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2373.646429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.646429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.646429 (E_RNA) where: Base-Base interactions energy: -1641.213 where: short stacking energy: -702.501 Base-Backbone interact. energy: 0.609 local terms energy: -733.042405 where: bonds (distance) C4'-P energy: -135.530 bonds (distance) P-C4' energy: -150.392 flat angles C4'-P-C4' energy: -155.236 flat angles P-C4'-P energy: -88.034 tors. eta vs tors. theta energy: -203.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2158.289860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.289860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.289860 (E_RNA) where: Base-Base interactions energy: -1460.741 where: short stacking energy: -633.772 Base-Backbone interact. energy: -3.129 local terms energy: -694.419540 where: bonds (distance) C4'-P energy: -106.422 bonds (distance) P-C4' energy: -149.767 flat angles C4'-P-C4' energy: -153.385 flat angles P-C4'-P energy: -103.734 tors. eta vs tors. theta energy: -181.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2093.667427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.667427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.667427 (E_RNA) where: Base-Base interactions energy: -1426.180 where: short stacking energy: -614.219 Base-Backbone interact. energy: -0.806 local terms energy: -666.681542 where: bonds (distance) C4'-P energy: -135.928 bonds (distance) P-C4' energy: -142.851 flat angles C4'-P-C4' energy: -136.493 flat angles P-C4'-P energy: -77.988 tors. eta vs tors. theta energy: -173.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1776.483762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.483762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.483762 (E_RNA) where: Base-Base interactions energy: -1165.731 where: short stacking energy: -520.557 Base-Backbone interact. energy: -2.275 local terms energy: -608.477561 where: bonds (distance) C4'-P energy: -136.058 bonds (distance) P-C4' energy: -138.196 flat angles C4'-P-C4' energy: -134.802 flat angles P-C4'-P energy: -87.132 tors. eta vs tors. theta energy: -112.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1494.913226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.913226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.913226 (E_RNA) where: Base-Base interactions energy: -949.751 where: short stacking energy: -429.172 Base-Backbone interact. energy: -2.584 local terms energy: -542.578993 where: bonds (distance) C4'-P energy: -114.016 bonds (distance) P-C4' energy: -146.230 flat angles C4'-P-C4' energy: -128.197 flat angles P-C4'-P energy: -83.300 tors. eta vs tors. theta energy: -70.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1157.475626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.475626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.475626 (E_RNA) where: Base-Base interactions energy: -700.650 where: short stacking energy: -319.329 Base-Backbone interact. energy: 0.148 local terms energy: -456.973249 where: bonds (distance) C4'-P energy: -118.597 bonds (distance) P-C4' energy: -120.425 flat angles C4'-P-C4' energy: -99.991 flat angles P-C4'-P energy: -71.679 tors. eta vs tors. theta energy: -46.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1016.712607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.712607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.712607 (E_RNA) where: Base-Base interactions energy: -571.881 where: short stacking energy: -301.268 Base-Backbone interact. energy: 0.056 local terms energy: -444.887497 where: bonds (distance) C4'-P energy: -106.081 bonds (distance) P-C4' energy: -127.224 flat angles C4'-P-C4' energy: -111.598 flat angles P-C4'-P energy: -66.119 tors. eta vs tors. theta energy: -33.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -769.032654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.032654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.032654 (E_RNA) where: Base-Base interactions energy: -389.820 where: short stacking energy: -223.469 Base-Backbone interact. energy: 9.258 local terms energy: -388.470818 where: bonds (distance) C4'-P energy: -100.551 bonds (distance) P-C4' energy: -125.391 flat angles C4'-P-C4' energy: -91.589 flat angles P-C4'-P energy: -57.780 tors. eta vs tors. theta energy: -13.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2648.503377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.503377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.503377 (E_RNA) where: Base-Base interactions energy: -1835.734 where: short stacking energy: -767.572 Base-Backbone interact. energy: 0.054 local terms energy: -812.823593 where: bonds (distance) C4'-P energy: -154.308 bonds (distance) P-C4' energy: -139.613 flat angles C4'-P-C4' energy: -179.559 flat angles P-C4'-P energy: -116.392 tors. eta vs tors. theta energy: -222.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2446.974447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.974447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.974447 (E_RNA) where: Base-Base interactions energy: -1683.661 where: short stacking energy: -702.754 Base-Backbone interact. energy: 1.320 local terms energy: -764.633368 where: bonds (distance) C4'-P energy: -152.131 bonds (distance) P-C4' energy: -140.122 flat angles C4'-P-C4' energy: -160.772 flat angles P-C4'-P energy: -112.801 tors. eta vs tors. theta energy: -198.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2425.304949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.304949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.304949 (E_RNA) where: Base-Base interactions energy: -1665.311 where: short stacking energy: -741.964 Base-Backbone interact. energy: -3.857 local terms energy: -756.137026 where: bonds (distance) C4'-P energy: -130.851 bonds (distance) P-C4' energy: -138.575 flat angles C4'-P-C4' energy: -165.625 flat angles P-C4'-P energy: -106.018 tors. eta vs tors. theta energy: -215.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2183.406301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.406301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.406301 (E_RNA) where: Base-Base interactions energy: -1491.145 where: short stacking energy: -655.689 Base-Backbone interact. energy: -1.093 local terms energy: -691.168494 where: bonds (distance) C4'-P energy: -149.245 bonds (distance) P-C4' energy: -138.889 flat angles C4'-P-C4' energy: -143.160 flat angles P-C4'-P energy: -96.955 tors. eta vs tors. theta energy: -162.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2059.651963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.651963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.651963 (E_RNA) where: Base-Base interactions energy: -1373.558 where: short stacking energy: -563.424 Base-Backbone interact. energy: -2.402 local terms energy: -683.691523 where: bonds (distance) C4'-P energy: -118.888 bonds (distance) P-C4' energy: -156.968 flat angles C4'-P-C4' energy: -152.078 flat angles P-C4'-P energy: -101.572 tors. eta vs tors. theta energy: -154.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1882.946430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.946430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.946430 (E_RNA) where: Base-Base interactions energy: -1252.378 where: short stacking energy: -544.884 Base-Backbone interact. energy: -0.131 local terms energy: -630.438094 where: bonds (distance) C4'-P energy: -130.156 bonds (distance) P-C4' energy: -137.745 flat angles C4'-P-C4' energy: -137.259 flat angles P-C4'-P energy: -83.936 tors. eta vs tors. theta energy: -141.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1503.404529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.404529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.404529 (E_RNA) where: Base-Base interactions energy: -940.249 where: short stacking energy: -445.770 Base-Backbone interact. energy: -1.412 local terms energy: -561.742767 where: bonds (distance) C4'-P energy: -110.347 bonds (distance) P-C4' energy: -111.829 flat angles C4'-P-C4' energy: -148.783 flat angles P-C4'-P energy: -89.766 tors. eta vs tors. theta energy: -101.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1174.871188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.871188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.871188 (E_RNA) where: Base-Base interactions energy: -707.067 where: short stacking energy: -347.900 Base-Backbone interact. energy: -2.903 local terms energy: -464.901577 where: bonds (distance) C4'-P energy: -127.200 bonds (distance) P-C4' energy: -122.805 flat angles C4'-P-C4' energy: -112.864 flat angles P-C4'-P energy: -59.495 tors. eta vs tors. theta energy: -42.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1026.762471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.762471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.762471 (E_RNA) where: Base-Base interactions energy: -587.773 where: short stacking energy: -259.847 Base-Backbone interact. energy: 2.550 local terms energy: -441.539088 where: bonds (distance) C4'-P energy: -114.704 bonds (distance) P-C4' energy: -134.445 flat angles C4'-P-C4' energy: -110.475 flat angles P-C4'-P energy: -80.418 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -754.351258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.351258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.351258 (E_RNA) where: Base-Base interactions energy: -351.474 where: short stacking energy: -210.440 Base-Backbone interact. energy: 2.602 local terms energy: -405.479281 where: bonds (distance) C4'-P energy: -110.675 bonds (distance) P-C4' energy: -134.997 flat angles C4'-P-C4' energy: -116.967 flat angles P-C4'-P energy: -59.956 tors. eta vs tors. theta energy: 17.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2657.478168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.478168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.478168 (E_RNA) where: Base-Base interactions energy: -1841.688 where: short stacking energy: -771.155 Base-Backbone interact. energy: -1.741 local terms energy: -814.049960 where: bonds (distance) C4'-P energy: -146.851 bonds (distance) P-C4' energy: -153.913 flat angles C4'-P-C4' energy: -167.342 flat angles P-C4'-P energy: -123.232 tors. eta vs tors. theta energy: -222.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2430.943576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.943576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.943576 (E_RNA) where: Base-Base interactions energy: -1666.634 where: short stacking energy: -707.082 Base-Backbone interact. energy: -2.954 local terms energy: -761.355258 where: bonds (distance) C4'-P energy: -147.773 bonds (distance) P-C4' energy: -142.397 flat angles C4'-P-C4' energy: -163.385 flat angles P-C4'-P energy: -103.998 tors. eta vs tors. theta energy: -203.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2421.626234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.626234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.626234 (E_RNA) where: Base-Base interactions energy: -1639.758 where: short stacking energy: -703.588 Base-Backbone interact. energy: -2.334 local terms energy: -779.534325 where: bonds (distance) C4'-P energy: -134.412 bonds (distance) P-C4' energy: -147.853 flat angles C4'-P-C4' energy: -161.735 flat angles P-C4'-P energy: -118.049 tors. eta vs tors. theta energy: -217.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2167.158149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.158149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.158149 (E_RNA) where: Base-Base interactions energy: -1472.088 where: short stacking energy: -637.875 Base-Backbone interact. energy: 2.016 local terms energy: -697.086070 where: bonds (distance) C4'-P energy: -140.349 bonds (distance) P-C4' energy: -135.517 flat angles C4'-P-C4' energy: -155.920 flat angles P-C4'-P energy: -93.738 tors. eta vs tors. theta energy: -171.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2079.821344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.821344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.821344 (E_RNA) where: Base-Base interactions energy: -1389.143 where: short stacking energy: -589.499 Base-Backbone interact. energy: -1.148 local terms energy: -689.530646 where: bonds (distance) C4'-P energy: -133.995 bonds (distance) P-C4' energy: -138.820 flat angles C4'-P-C4' energy: -145.904 flat angles P-C4'-P energy: -87.181 tors. eta vs tors. theta energy: -183.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1895.025064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.025064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.025064 (E_RNA) where: Base-Base interactions energy: -1272.067 where: short stacking energy: -548.425 Base-Backbone interact. energy: -0.129 local terms energy: -622.828800 where: bonds (distance) C4'-P energy: -132.120 bonds (distance) P-C4' energy: -123.527 flat angles C4'-P-C4' energy: -147.610 flat angles P-C4'-P energy: -85.978 tors. eta vs tors. theta energy: -133.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1586.668569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.668569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.668569 (E_RNA) where: Base-Base interactions energy: -1026.471 where: short stacking energy: -467.236 Base-Backbone interact. energy: 0.406 local terms energy: -560.603320 where: bonds (distance) C4'-P energy: -120.182 bonds (distance) P-C4' energy: -117.042 flat angles C4'-P-C4' energy: -134.280 flat angles P-C4'-P energy: -89.589 tors. eta vs tors. theta energy: -99.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1223.334872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.334872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.334872 (E_RNA) where: Base-Base interactions energy: -718.586 where: short stacking energy: -372.151 Base-Backbone interact. energy: 3.301 local terms energy: -508.049908 where: bonds (distance) C4'-P energy: -112.182 bonds (distance) P-C4' energy: -141.091 flat angles C4'-P-C4' energy: -127.638 flat angles P-C4'-P energy: -74.390 tors. eta vs tors. theta energy: -52.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1054.108360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.108360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.108360 (E_RNA) where: Base-Base interactions energy: -643.197 where: short stacking energy: -287.814 Base-Backbone interact. energy: -5.877 local terms energy: -405.033522 where: bonds (distance) C4'-P energy: -118.410 bonds (distance) P-C4' energy: -115.514 flat angles C4'-P-C4' energy: -120.816 flat angles P-C4'-P energy: -48.079 tors. eta vs tors. theta energy: -2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -748.469908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.469908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.469908 (E_RNA) where: Base-Base interactions energy: -351.611 where: short stacking energy: -204.463 Base-Backbone interact. energy: -2.955 local terms energy: -393.904056 where: bonds (distance) C4'-P energy: -130.766 bonds (distance) P-C4' energy: -138.195 flat angles C4'-P-C4' energy: -94.751 flat angles P-C4'-P energy: -49.545 tors. eta vs tors. theta energy: 19.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2653.778393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.778393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.778393 (E_RNA) where: Base-Base interactions energy: -1829.076 where: short stacking energy: -756.706 Base-Backbone interact. energy: 3.586 local terms energy: -828.288325 where: bonds (distance) C4'-P energy: -146.944 bonds (distance) P-C4' energy: -154.363 flat angles C4'-P-C4' energy: -167.728 flat angles P-C4'-P energy: -127.845 tors. eta vs tors. theta energy: -231.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2447.841110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.841110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.841110 (E_RNA) where: Base-Base interactions energy: -1681.070 where: short stacking energy: -685.896 Base-Backbone interact. energy: -2.122 local terms energy: -764.649134 where: bonds (distance) C4'-P energy: -139.394 bonds (distance) P-C4' energy: -157.838 flat angles C4'-P-C4' energy: -152.993 flat angles P-C4'-P energy: -113.839 tors. eta vs tors. theta energy: -200.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2435.588790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.588790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.588790 (E_RNA) where: Base-Base interactions energy: -1653.177 where: short stacking energy: -698.570 Base-Backbone interact. energy: -2.574 local terms energy: -779.837914 where: bonds (distance) C4'-P energy: -138.597 bonds (distance) P-C4' energy: -153.286 flat angles C4'-P-C4' energy: -162.778 flat angles P-C4'-P energy: -103.386 tors. eta vs tors. theta energy: -221.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2206.019995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.019995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.019995 (E_RNA) where: Base-Base interactions energy: -1514.074 where: short stacking energy: -657.572 Base-Backbone interact. energy: -2.929 local terms energy: -689.016854 where: bonds (distance) C4'-P energy: -133.462 bonds (distance) P-C4' energy: -140.198 flat angles C4'-P-C4' energy: -148.917 flat angles P-C4'-P energy: -90.587 tors. eta vs tors. theta energy: -175.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2113.360517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.360517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.360517 (E_RNA) where: Base-Base interactions energy: -1431.141 where: short stacking energy: -624.355 Base-Backbone interact. energy: -2.057 local terms energy: -680.162958 where: bonds (distance) C4'-P energy: -140.797 bonds (distance) P-C4' energy: -143.925 flat angles C4'-P-C4' energy: -139.253 flat angles P-C4'-P energy: -79.643 tors. eta vs tors. theta energy: -176.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1874.630056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.630056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.630056 (E_RNA) where: Base-Base interactions energy: -1237.504 where: short stacking energy: -543.596 Base-Backbone interact. energy: -1.516 local terms energy: -635.609546 where: bonds (distance) C4'-P energy: -124.391 bonds (distance) P-C4' energy: -122.340 flat angles C4'-P-C4' energy: -147.557 flat angles P-C4'-P energy: -103.493 tors. eta vs tors. theta energy: -137.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1536.230806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.230806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.230806 (E_RNA) where: Base-Base interactions energy: -986.412 where: short stacking energy: -437.428 Base-Backbone interact. energy: 0.577 local terms energy: -550.396149 where: bonds (distance) C4'-P energy: -120.387 bonds (distance) P-C4' energy: -128.526 flat angles C4'-P-C4' energy: -127.433 flat angles P-C4'-P energy: -62.215 tors. eta vs tors. theta energy: -111.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1186.635576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.635576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.635576 (E_RNA) where: Base-Base interactions energy: -702.039 where: short stacking energy: -347.283 Base-Backbone interact. energy: -2.415 local terms energy: -482.181557 where: bonds (distance) C4'-P energy: -122.499 bonds (distance) P-C4' energy: -140.126 flat angles C4'-P-C4' energy: -108.763 flat angles P-C4'-P energy: -64.675 tors. eta vs tors. theta energy: -46.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1040.887234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.887234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.887234 (E_RNA) where: Base-Base interactions energy: -642.473 where: short stacking energy: -298.878 Base-Backbone interact. energy: 6.097 local terms energy: -404.511717 where: bonds (distance) C4'-P energy: -96.512 bonds (distance) P-C4' energy: -103.360 flat angles C4'-P-C4' energy: -127.563 flat angles P-C4'-P energy: -55.118 tors. eta vs tors. theta energy: -21.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -785.823193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.823193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.823193 (E_RNA) where: Base-Base interactions energy: -382.551 where: short stacking energy: -207.273 Base-Backbone interact. energy: 2.973 local terms energy: -406.245534 where: bonds (distance) C4'-P energy: -126.766 bonds (distance) P-C4' energy: -89.171 flat angles C4'-P-C4' energy: -117.888 flat angles P-C4'-P energy: -70.967 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2657.605056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.605056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.605056 (E_RNA) where: Base-Base interactions energy: -1864.521 where: short stacking energy: -762.982 Base-Backbone interact. energy: 0.305 local terms energy: -793.389438 where: bonds (distance) C4'-P energy: -142.822 bonds (distance) P-C4' energy: -154.743 flat angles C4'-P-C4' energy: -163.773 flat angles P-C4'-P energy: -113.492 tors. eta vs tors. theta energy: -218.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2462.370217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.370217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.370217 (E_RNA) where: Base-Base interactions energy: -1677.771 where: short stacking energy: -710.112 Base-Backbone interact. energy: 3.576 local terms energy: -788.175126 where: bonds (distance) C4'-P energy: -140.407 bonds (distance) P-C4' energy: -154.414 flat angles C4'-P-C4' energy: -157.765 flat angles P-C4'-P energy: -121.190 tors. eta vs tors. theta energy: -214.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2409.103125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.103125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.103125 (E_RNA) where: Base-Base interactions energy: -1654.248 where: short stacking energy: -721.929 Base-Backbone interact. energy: -3.768 local terms energy: -751.086879 where: bonds (distance) C4'-P energy: -135.685 bonds (distance) P-C4' energy: -127.402 flat angles C4'-P-C4' energy: -167.608 flat angles P-C4'-P energy: -117.823 tors. eta vs tors. theta energy: -202.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2165.005500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.005500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.005500 (E_RNA) where: Base-Base interactions energy: -1445.775 where: short stacking energy: -623.062 Base-Backbone interact. energy: -1.577 local terms energy: -717.653435 where: bonds (distance) C4'-P energy: -123.735 bonds (distance) P-C4' energy: -149.269 flat angles C4'-P-C4' energy: -167.853 flat angles P-C4'-P energy: -102.766 tors. eta vs tors. theta energy: -174.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2156.565416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.565416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.565416 (E_RNA) where: Base-Base interactions energy: -1455.532 where: short stacking energy: -601.620 Base-Backbone interact. energy: -0.396 local terms energy: -700.636863 where: bonds (distance) C4'-P energy: -135.899 bonds (distance) P-C4' energy: -139.302 flat angles C4'-P-C4' energy: -152.538 flat angles P-C4'-P energy: -103.473 tors. eta vs tors. theta energy: -169.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1887.630186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.630186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.630186 (E_RNA) where: Base-Base interactions energy: -1260.137 where: short stacking energy: -574.022 Base-Backbone interact. energy: -3.049 local terms energy: -624.443731 where: bonds (distance) C4'-P energy: -137.267 bonds (distance) P-C4' energy: -136.155 flat angles C4'-P-C4' energy: -137.735 flat angles P-C4'-P energy: -77.865 tors. eta vs tors. theta energy: -135.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1554.128939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.128939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.128939 (E_RNA) where: Base-Base interactions energy: -1000.245 where: short stacking energy: -434.739 Base-Backbone interact. energy: -2.509 local terms energy: -551.375174 where: bonds (distance) C4'-P energy: -137.630 bonds (distance) P-C4' energy: -124.395 flat angles C4'-P-C4' energy: -121.174 flat angles P-C4'-P energy: -70.280 tors. eta vs tors. theta energy: -97.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1303.790789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.790789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.790789 (E_RNA) where: Base-Base interactions energy: -806.819 where: short stacking energy: -391.717 Base-Backbone interact. energy: -0.318 local terms energy: -496.653997 where: bonds (distance) C4'-P energy: -119.582 bonds (distance) P-C4' energy: -107.305 flat angles C4'-P-C4' energy: -130.583 flat angles P-C4'-P energy: -69.004 tors. eta vs tors. theta energy: -70.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1020.131862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.131862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.131862 (E_RNA) where: Base-Base interactions energy: -612.761 where: short stacking energy: -305.077 Base-Backbone interact. energy: -0.564 local terms energy: -406.806903 where: bonds (distance) C4'-P energy: -103.205 bonds (distance) P-C4' energy: -120.677 flat angles C4'-P-C4' energy: -86.714 flat angles P-C4'-P energy: -62.476 tors. eta vs tors. theta energy: -33.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -745.313642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.313642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.313642 (E_RNA) where: Base-Base interactions energy: -312.979 where: short stacking energy: -194.483 Base-Backbone interact. energy: 0.238 local terms energy: -432.572192 where: bonds (distance) C4'-P energy: -111.907 bonds (distance) P-C4' energy: -148.602 flat angles C4'-P-C4' energy: -115.975 flat angles P-C4'-P energy: -71.182 tors. eta vs tors. theta energy: 15.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2643.061064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.061064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.061064 (E_RNA) where: Base-Base interactions energy: -1831.622 where: short stacking energy: -736.685 Base-Backbone interact. energy: 3.420 local terms energy: -814.859214 where: bonds (distance) C4'-P energy: -157.404 bonds (distance) P-C4' energy: -156.395 flat angles C4'-P-C4' energy: -158.135 flat angles P-C4'-P energy: -118.188 tors. eta vs tors. theta energy: -224.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2458.969305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.969305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.969305 (E_RNA) where: Base-Base interactions energy: -1666.682 where: short stacking energy: -706.993 Base-Backbone interact. energy: -1.655 local terms energy: -790.632034 where: bonds (distance) C4'-P energy: -152.482 bonds (distance) P-C4' energy: -151.622 flat angles C4'-P-C4' energy: -163.807 flat angles P-C4'-P energy: -117.146 tors. eta vs tors. theta energy: -205.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2438.728143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.728143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.728143 (E_RNA) where: Base-Base interactions energy: -1656.534 where: short stacking energy: -740.360 Base-Backbone interact. energy: -6.315 local terms energy: -775.879331 where: bonds (distance) C4'-P energy: -132.144 bonds (distance) P-C4' energy: -143.153 flat angles C4'-P-C4' energy: -176.358 flat angles P-C4'-P energy: -101.848 tors. eta vs tors. theta energy: -222.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2207.823818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.823818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.823818 (E_RNA) where: Base-Base interactions energy: -1475.714 where: short stacking energy: -652.085 Base-Backbone interact. energy: -3.135 local terms energy: -728.975038 where: bonds (distance) C4'-P energy: -137.077 bonds (distance) P-C4' energy: -147.216 flat angles C4'-P-C4' energy: -158.747 flat angles P-C4'-P energy: -111.567 tors. eta vs tors. theta energy: -174.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2136.157410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.157410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.157410 (E_RNA) where: Base-Base interactions energy: -1453.632 where: short stacking energy: -650.949 Base-Backbone interact. energy: -1.558 local terms energy: -680.967572 where: bonds (distance) C4'-P energy: -125.366 bonds (distance) P-C4' energy: -129.521 flat angles C4'-P-C4' energy: -154.801 flat angles P-C4'-P energy: -95.573 tors. eta vs tors. theta energy: -175.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1874.392550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.392550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.392550 (E_RNA) where: Base-Base interactions energy: -1209.243 where: short stacking energy: -543.159 Base-Backbone interact. energy: -1.520 local terms energy: -663.629778 where: bonds (distance) C4'-P energy: -134.983 bonds (distance) P-C4' energy: -141.293 flat angles C4'-P-C4' energy: -137.430 flat angles P-C4'-P energy: -101.903 tors. eta vs tors. theta energy: -148.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1541.002669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.002669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.002669 (E_RNA) where: Base-Base interactions energy: -960.976 where: short stacking energy: -445.189 Base-Backbone interact. energy: -0.941 local terms energy: -579.085826 where: bonds (distance) C4'-P energy: -130.777 bonds (distance) P-C4' energy: -134.485 flat angles C4'-P-C4' energy: -131.595 flat angles P-C4'-P energy: -87.165 tors. eta vs tors. theta energy: -95.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1268.690910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.690910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.690910 (E_RNA) where: Base-Base interactions energy: -759.955 where: short stacking energy: -339.468 Base-Backbone interact. energy: -3.056 local terms energy: -505.680413 where: bonds (distance) C4'-P energy: -120.872 bonds (distance) P-C4' energy: -137.585 flat angles C4'-P-C4' energy: -125.813 flat angles P-C4'-P energy: -80.667 tors. eta vs tors. theta energy: -40.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1132.507975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.507975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.507975 (E_RNA) where: Base-Base interactions energy: -684.454 where: short stacking energy: -315.731 Base-Backbone interact. energy: 3.879 local terms energy: -451.933458 where: bonds (distance) C4'-P energy: -91.442 bonds (distance) P-C4' energy: -144.569 flat angles C4'-P-C4' energy: -103.954 flat angles P-C4'-P energy: -79.797 tors. eta vs tors. theta energy: -32.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -686.909442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.909442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.909442 (E_RNA) where: Base-Base interactions energy: -275.264 where: short stacking energy: -160.560 Base-Backbone interact. energy: -2.763 local terms energy: -408.882086 where: bonds (distance) C4'-P energy: -125.411 bonds (distance) P-C4' energy: -113.137 flat angles C4'-P-C4' energy: -119.676 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: 7.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2680.786267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.786267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.786267 (E_RNA) where: Base-Base interactions energy: -1850.940 where: short stacking energy: -752.584 Base-Backbone interact. energy: -2.845 local terms energy: -827.001361 where: bonds (distance) C4'-P energy: -153.298 bonds (distance) P-C4' energy: -144.469 flat angles C4'-P-C4' energy: -179.890 flat angles P-C4'-P energy: -127.381 tors. eta vs tors. theta energy: -221.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2472.347881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.347881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.347881 (E_RNA) where: Base-Base interactions energy: -1685.547 where: short stacking energy: -724.346 Base-Backbone interact. energy: -0.769 local terms energy: -786.032173 where: bonds (distance) C4'-P energy: -149.208 bonds (distance) P-C4' energy: -133.633 flat angles C4'-P-C4' energy: -170.357 flat angles P-C4'-P energy: -119.559 tors. eta vs tors. theta energy: -213.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2442.634367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.634367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.634367 (E_RNA) where: Base-Base interactions energy: -1677.863 where: short stacking energy: -709.347 Base-Backbone interact. energy: -2.645 local terms energy: -762.126119 where: bonds (distance) C4'-P energy: -134.776 bonds (distance) P-C4' energy: -154.781 flat angles C4'-P-C4' energy: -155.431 flat angles P-C4'-P energy: -105.889 tors. eta vs tors. theta energy: -211.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2224.437443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.437443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.437443 (E_RNA) where: Base-Base interactions energy: -1529.441 where: short stacking energy: -642.399 Base-Backbone interact. energy: 0.716 local terms energy: -695.713408 where: bonds (distance) C4'-P energy: -124.454 bonds (distance) P-C4' energy: -137.250 flat angles C4'-P-C4' energy: -140.616 flat angles P-C4'-P energy: -105.042 tors. eta vs tors. theta energy: -188.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2164.559498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.559498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.559498 (E_RNA) where: Base-Base interactions energy: -1465.462 where: short stacking energy: -603.045 Base-Backbone interact. energy: -1.528 local terms energy: -697.569256 where: bonds (distance) C4'-P energy: -129.466 bonds (distance) P-C4' energy: -156.017 flat angles C4'-P-C4' energy: -147.208 flat angles P-C4'-P energy: -101.507 tors. eta vs tors. theta energy: -163.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1872.086064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.086064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.086064 (E_RNA) where: Base-Base interactions energy: -1258.843 where: short stacking energy: -545.476 Base-Backbone interact. energy: -1.170 local terms energy: -612.072810 where: bonds (distance) C4'-P energy: -110.826 bonds (distance) P-C4' energy: -129.902 flat angles C4'-P-C4' energy: -150.118 flat angles P-C4'-P energy: -76.825 tors. eta vs tors. theta energy: -144.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1524.293705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.293705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.293705 (E_RNA) where: Base-Base interactions energy: -960.696 where: short stacking energy: -436.460 Base-Backbone interact. energy: -6.342 local terms energy: -557.256216 where: bonds (distance) C4'-P energy: -133.901 bonds (distance) P-C4' energy: -118.298 flat angles C4'-P-C4' energy: -120.270 flat angles P-C4'-P energy: -86.125 tors. eta vs tors. theta energy: -98.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1294.128166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.128166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.128166 (E_RNA) where: Base-Base interactions energy: -794.047 where: short stacking energy: -381.144 Base-Backbone interact. energy: 10.437 local terms energy: -510.518659 where: bonds (distance) C4'-P energy: -119.782 bonds (distance) P-C4' energy: -129.875 flat angles C4'-P-C4' energy: -123.168 flat angles P-C4'-P energy: -83.902 tors. eta vs tors. theta energy: -53.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1110.599212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.599212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.599212 (E_RNA) where: Base-Base interactions energy: -624.432 where: short stacking energy: -301.082 Base-Backbone interact. energy: -1.831 local terms energy: -484.336699 where: bonds (distance) C4'-P energy: -116.087 bonds (distance) P-C4' energy: -129.024 flat angles C4'-P-C4' energy: -120.249 flat angles P-C4'-P energy: -75.222 tors. eta vs tors. theta energy: -43.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -660.911573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.911573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.911573 (E_RNA) where: Base-Base interactions energy: -272.248 where: short stacking energy: -170.392 Base-Backbone interact. energy: 1.364 local terms energy: -390.027205 where: bonds (distance) C4'-P energy: -119.413 bonds (distance) P-C4' energy: -116.098 flat angles C4'-P-C4' energy: -95.260 flat angles P-C4'-P energy: -70.669 tors. eta vs tors. theta energy: 11.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2666.401886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.401886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.401886 (E_RNA) where: Base-Base interactions energy: -1869.774 where: short stacking energy: -758.025 Base-Backbone interact. energy: -3.678 local terms energy: -792.949914 where: bonds (distance) C4'-P energy: -144.408 bonds (distance) P-C4' energy: -140.564 flat angles C4'-P-C4' energy: -173.555 flat angles P-C4'-P energy: -118.127 tors. eta vs tors. theta energy: -216.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2489.142838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.142838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.142838 (E_RNA) where: Base-Base interactions energy: -1712.499 where: short stacking energy: -742.039 Base-Backbone interact. energy: -3.665 local terms energy: -772.979391 where: bonds (distance) C4'-P energy: -145.281 bonds (distance) P-C4' energy: -138.056 flat angles C4'-P-C4' energy: -161.263 flat angles P-C4'-P energy: -114.608 tors. eta vs tors. theta energy: -213.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2427.377154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.377154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.377154 (E_RNA) where: Base-Base interactions energy: -1666.617 where: short stacking energy: -735.156 Base-Backbone interact. energy: -2.172 local terms energy: -758.588080 where: bonds (distance) C4'-P energy: -135.825 bonds (distance) P-C4' energy: -130.399 flat angles C4'-P-C4' energy: -158.968 flat angles P-C4'-P energy: -117.937 tors. eta vs tors. theta energy: -215.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2176.958865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.958865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.958865 (E_RNA) where: Base-Base interactions energy: -1461.250 where: short stacking energy: -623.181 Base-Backbone interact. energy: 0.118 local terms energy: -715.826475 where: bonds (distance) C4'-P energy: -139.687 bonds (distance) P-C4' energy: -144.787 flat angles C4'-P-C4' energy: -159.914 flat angles P-C4'-P energy: -89.851 tors. eta vs tors. theta energy: -181.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2132.799789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.799789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.799789 (E_RNA) where: Base-Base interactions energy: -1484.764 where: short stacking energy: -620.550 Base-Backbone interact. energy: -0.220 local terms energy: -648.933916 where: bonds (distance) C4'-P energy: -115.157 bonds (distance) P-C4' energy: -154.139 flat angles C4'-P-C4' energy: -137.468 flat angles P-C4'-P energy: -72.440 tors. eta vs tors. theta energy: -169.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.118 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1859.160351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.160351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.160351 (E_RNA) where: Base-Base interactions energy: -1242.302 where: short stacking energy: -549.094 Base-Backbone interact. energy: 2.832 local terms energy: -619.690333 where: bonds (distance) C4'-P energy: -129.311 bonds (distance) P-C4' energy: -133.141 flat angles C4'-P-C4' energy: -135.694 flat angles P-C4'-P energy: -81.332 tors. eta vs tors. theta energy: -140.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1505.253126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.253126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.253126 (E_RNA) where: Base-Base interactions energy: -955.085 where: short stacking energy: -425.652 Base-Backbone interact. energy: -0.929 local terms energy: -549.238928 where: bonds (distance) C4'-P energy: -111.699 bonds (distance) P-C4' energy: -127.537 flat angles C4'-P-C4' energy: -125.250 flat angles P-C4'-P energy: -82.441 tors. eta vs tors. theta energy: -102.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1308.108242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.108242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.108242 (E_RNA) where: Base-Base interactions energy: -789.304 where: short stacking energy: -358.720 Base-Backbone interact. energy: -3.708 local terms energy: -515.096626 where: bonds (distance) C4'-P energy: -118.180 bonds (distance) P-C4' energy: -126.530 flat angles C4'-P-C4' energy: -118.650 flat angles P-C4'-P energy: -91.476 tors. eta vs tors. theta energy: -60.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1052.955924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.955924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.955924 (E_RNA) where: Base-Base interactions energy: -600.691 where: short stacking energy: -305.556 Base-Backbone interact. energy: -0.603 local terms energy: -451.662345 where: bonds (distance) C4'-P energy: -135.022 bonds (distance) P-C4' energy: -120.401 flat angles C4'-P-C4' energy: -112.278 flat angles P-C4'-P energy: -57.399 tors. eta vs tors. theta energy: -26.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -693.439911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.439911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.439911 (E_RNA) where: Base-Base interactions energy: -320.416 where: short stacking energy: -207.998 Base-Backbone interact. energy: -1.198 local terms energy: -371.825618 where: bonds (distance) C4'-P energy: -114.220 bonds (distance) P-C4' energy: -123.760 flat angles C4'-P-C4' energy: -77.814 flat angles P-C4'-P energy: -58.206 tors. eta vs tors. theta energy: 2.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2665.110637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.110637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.110637 (E_RNA) where: Base-Base interactions energy: -1856.840 where: short stacking energy: -735.725 Base-Backbone interact. energy: -2.783 local terms energy: -805.487581 where: bonds (distance) C4'-P energy: -148.090 bonds (distance) P-C4' energy: -153.685 flat angles C4'-P-C4' energy: -166.688 flat angles P-C4'-P energy: -118.782 tors. eta vs tors. theta energy: -218.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2466.650726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.650726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.650726 (E_RNA) where: Base-Base interactions energy: -1724.493 where: short stacking energy: -730.829 Base-Backbone interact. energy: -1.334 local terms energy: -740.824285 where: bonds (distance) C4'-P energy: -124.866 bonds (distance) P-C4' energy: -148.842 flat angles C4'-P-C4' energy: -157.679 flat angles P-C4'-P energy: -96.361 tors. eta vs tors. theta energy: -213.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2451.516795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.516795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.516795 (E_RNA) where: Base-Base interactions energy: -1695.176 where: short stacking energy: -731.052 Base-Backbone interact. energy: -6.905 local terms energy: -749.436721 where: bonds (distance) C4'-P energy: -125.027 bonds (distance) P-C4' energy: -130.052 flat angles C4'-P-C4' energy: -168.906 flat angles P-C4'-P energy: -98.770 tors. eta vs tors. theta energy: -226.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2212.250563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.250563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.250563 (E_RNA) where: Base-Base interactions energy: -1536.454 where: short stacking energy: -666.287 Base-Backbone interact. energy: 8.780 local terms energy: -684.577278 where: bonds (distance) C4'-P energy: -130.868 bonds (distance) P-C4' energy: -121.632 flat angles C4'-P-C4' energy: -148.039 flat angles P-C4'-P energy: -93.498 tors. eta vs tors. theta energy: -190.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2127.729594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.729594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.729594 (E_RNA) where: Base-Base interactions energy: -1464.624 where: short stacking energy: -576.531 Base-Backbone interact. energy: 2.624 local terms energy: -665.729632 where: bonds (distance) C4'-P energy: -134.558 bonds (distance) P-C4' energy: -142.705 flat angles C4'-P-C4' energy: -141.466 flat angles P-C4'-P energy: -96.553 tors. eta vs tors. theta energy: -150.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1871.692804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.692804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.692804 (E_RNA) where: Base-Base interactions energy: -1249.939 where: short stacking energy: -548.660 Base-Backbone interact. energy: 8.933 local terms energy: -630.687488 where: bonds (distance) C4'-P energy: -142.002 bonds (distance) P-C4' energy: -129.779 flat angles C4'-P-C4' energy: -126.625 flat angles P-C4'-P energy: -85.617 tors. eta vs tors. theta energy: -146.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1470.546107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.546107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.546107 (E_RNA) where: Base-Base interactions energy: -911.410 where: short stacking energy: -420.645 Base-Backbone interact. energy: -0.717 local terms energy: -558.419759 where: bonds (distance) C4'-P energy: -123.225 bonds (distance) P-C4' energy: -113.299 flat angles C4'-P-C4' energy: -134.595 flat angles P-C4'-P energy: -96.628 tors. eta vs tors. theta energy: -90.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1336.367943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.367943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.367943 (E_RNA) where: Base-Base interactions energy: -820.252 where: short stacking energy: -399.840 Base-Backbone interact. energy: -2.995 local terms energy: -513.120964 where: bonds (distance) C4'-P energy: -126.958 bonds (distance) P-C4' energy: -124.102 flat angles C4'-P-C4' energy: -108.901 flat angles P-C4'-P energy: -77.898 tors. eta vs tors. theta energy: -75.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1068.659583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.659583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.659583 (E_RNA) where: Base-Base interactions energy: -606.583 where: short stacking energy: -308.671 Base-Backbone interact. energy: 1.244 local terms energy: -463.320056 where: bonds (distance) C4'-P energy: -128.328 bonds (distance) P-C4' energy: -139.028 flat angles C4'-P-C4' energy: -107.754 flat angles P-C4'-P energy: -65.651 tors. eta vs tors. theta energy: -22.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -730.791306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.791306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.791306 (E_RNA) where: Base-Base interactions energy: -341.190 where: short stacking energy: -208.968 Base-Backbone interact. energy: 6.039 local terms energy: -395.639908 where: bonds (distance) C4'-P energy: -99.962 bonds (distance) P-C4' energy: -118.637 flat angles C4'-P-C4' energy: -130.936 flat angles P-C4'-P energy: -63.376 tors. eta vs tors. theta energy: 17.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2622.341347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.341347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.341347 (E_RNA) where: Base-Base interactions energy: -1820.501 where: short stacking energy: -742.191 Base-Backbone interact. energy: -3.359 local terms energy: -798.482033 where: bonds (distance) C4'-P energy: -147.258 bonds (distance) P-C4' energy: -151.233 flat angles C4'-P-C4' energy: -176.380 flat angles P-C4'-P energy: -109.554 tors. eta vs tors. theta energy: -214.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2474.187626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.187626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.187626 (E_RNA) where: Base-Base interactions energy: -1703.397 where: short stacking energy: -730.782 Base-Backbone interact. energy: -1.018 local terms energy: -769.772760 where: bonds (distance) C4'-P energy: -147.416 bonds (distance) P-C4' energy: -142.972 flat angles C4'-P-C4' energy: -167.039 flat angles P-C4'-P energy: -101.545 tors. eta vs tors. theta energy: -210.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2501.585616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.585616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.585616 (E_RNA) where: Base-Base interactions energy: -1725.249 where: short stacking energy: -722.777 Base-Backbone interact. energy: -2.914 local terms energy: -773.422608 where: bonds (distance) C4'-P energy: -148.791 bonds (distance) P-C4' energy: -130.293 flat angles C4'-P-C4' energy: -156.314 flat angles P-C4'-P energy: -117.801 tors. eta vs tors. theta energy: -220.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2233.471368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.471368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.471368 (E_RNA) where: Base-Base interactions energy: -1543.578 where: short stacking energy: -639.545 Base-Backbone interact. energy: 1.658 local terms energy: -691.550880 where: bonds (distance) C4'-P energy: -126.375 bonds (distance) P-C4' energy: -144.741 flat angles C4'-P-C4' energy: -144.883 flat angles P-C4'-P energy: -102.055 tors. eta vs tors. theta energy: -173.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2134.856899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.856899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.856899 (E_RNA) where: Base-Base interactions energy: -1461.753 where: short stacking energy: -620.387 Base-Backbone interact. energy: 3.335 local terms energy: -676.439164 where: bonds (distance) C4'-P energy: -118.446 bonds (distance) P-C4' energy: -125.216 flat angles C4'-P-C4' energy: -162.102 flat angles P-C4'-P energy: -100.241 tors. eta vs tors. theta energy: -170.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1864.965604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.965604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.965604 (E_RNA) where: Base-Base interactions energy: -1246.323 where: short stacking energy: -538.869 Base-Backbone interact. energy: -1.977 local terms energy: -616.664948 where: bonds (distance) C4'-P energy: -135.054 bonds (distance) P-C4' energy: -121.949 flat angles C4'-P-C4' energy: -135.594 flat angles P-C4'-P energy: -81.305 tors. eta vs tors. theta energy: -142.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1552.977601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.977601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.977601 (E_RNA) where: Base-Base interactions energy: -1016.449 where: short stacking energy: -477.539 Base-Backbone interact. energy: 0.774 local terms energy: -537.302603 where: bonds (distance) C4'-P energy: -111.465 bonds (distance) P-C4' energy: -105.868 flat angles C4'-P-C4' energy: -133.311 flat angles P-C4'-P energy: -74.869 tors. eta vs tors. theta energy: -111.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1341.403328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.403328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.403328 (E_RNA) where: Base-Base interactions energy: -817.081 where: short stacking energy: -375.369 Base-Backbone interact. energy: -2.157 local terms energy: -522.165195 where: bonds (distance) C4'-P energy: -140.441 bonds (distance) P-C4' energy: -129.917 flat angles C4'-P-C4' energy: -132.401 flat angles P-C4'-P energy: -68.053 tors. eta vs tors. theta energy: -51.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1005.921426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.921426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.921426 (E_RNA) where: Base-Base interactions energy: -576.300 where: short stacking energy: -280.910 Base-Backbone interact. energy: 1.891 local terms energy: -431.512433 where: bonds (distance) C4'-P energy: -101.253 bonds (distance) P-C4' energy: -123.381 flat angles C4'-P-C4' energy: -123.372 flat angles P-C4'-P energy: -83.765 tors. eta vs tors. theta energy: 0.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -754.033551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.033551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.033551 (E_RNA) where: Base-Base interactions energy: -375.992 where: short stacking energy: -243.092 Base-Backbone interact. energy: 14.903 local terms energy: -392.945510 where: bonds (distance) C4'-P energy: -122.942 bonds (distance) P-C4' energy: -115.914 flat angles C4'-P-C4' energy: -99.634 flat angles P-C4'-P energy: -61.691 tors. eta vs tors. theta energy: 7.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2641.485758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.485758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.485758 (E_RNA) where: Base-Base interactions energy: -1880.499 where: short stacking energy: -756.546 Base-Backbone interact. energy: -3.766 local terms energy: -757.221136 where: bonds (distance) C4'-P energy: -144.291 bonds (distance) P-C4' energy: -127.151 flat angles C4'-P-C4' energy: -167.151 flat angles P-C4'-P energy: -100.128 tors. eta vs tors. theta energy: -218.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2476.018308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.018308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.018308 (E_RNA) where: Base-Base interactions energy: -1715.822 where: short stacking energy: -721.393 Base-Backbone interact. energy: -4.903 local terms energy: -755.293528 where: bonds (distance) C4'-P energy: -137.347 bonds (distance) P-C4' energy: -133.145 flat angles C4'-P-C4' energy: -169.192 flat angles P-C4'-P energy: -98.275 tors. eta vs tors. theta energy: -217.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2438.614511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.614511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.614511 (E_RNA) where: Base-Base interactions energy: -1682.011 where: short stacking energy: -702.413 Base-Backbone interact. energy: -4.371 local terms energy: -752.232892 where: bonds (distance) C4'-P energy: -134.532 bonds (distance) P-C4' energy: -138.280 flat angles C4'-P-C4' energy: -150.904 flat angles P-C4'-P energy: -116.027 tors. eta vs tors. theta energy: -212.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2253.910278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.910278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.910278 (E_RNA) where: Base-Base interactions energy: -1542.905 where: short stacking energy: -663.009 Base-Backbone interact. energy: -0.781 local terms energy: -710.224048 where: bonds (distance) C4'-P energy: -145.342 bonds (distance) P-C4' energy: -132.430 flat angles C4'-P-C4' energy: -150.250 flat angles P-C4'-P energy: -91.293 tors. eta vs tors. theta energy: -190.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2071.134712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.134712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.134712 (E_RNA) where: Base-Base interactions energy: -1406.849 where: short stacking energy: -580.502 Base-Backbone interact. energy: 1.451 local terms energy: -667.131265 where: bonds (distance) C4'-P energy: -127.856 bonds (distance) P-C4' energy: -138.778 flat angles C4'-P-C4' energy: -160.597 flat angles P-C4'-P energy: -96.894 tors. eta vs tors. theta energy: -143.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.394 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1839.767077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.767077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.767077 (E_RNA) where: Base-Base interactions energy: -1222.846 where: short stacking energy: -513.697 Base-Backbone interact. energy: -0.807 local terms energy: -616.113889 where: bonds (distance) C4'-P energy: -140.902 bonds (distance) P-C4' energy: -133.086 flat angles C4'-P-C4' energy: -143.384 flat angles P-C4'-P energy: -81.213 tors. eta vs tors. theta energy: -117.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1613.107418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.107418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.107418 (E_RNA) where: Base-Base interactions energy: -1041.910 where: short stacking energy: -465.939 Base-Backbone interact. energy: 0.302 local terms energy: -571.499545 where: bonds (distance) C4'-P energy: -123.886 bonds (distance) P-C4' energy: -122.766 flat angles C4'-P-C4' energy: -134.005 flat angles P-C4'-P energy: -81.756 tors. eta vs tors. theta energy: -109.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1268.397540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.397540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.397540 (E_RNA) where: Base-Base interactions energy: -728.738 where: short stacking energy: -350.129 Base-Backbone interact. energy: -1.240 local terms energy: -538.419489 where: bonds (distance) C4'-P energy: -141.304 bonds (distance) P-C4' energy: -128.513 flat angles C4'-P-C4' energy: -115.333 flat angles P-C4'-P energy: -97.821 tors. eta vs tors. theta energy: -55.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1006.762115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.762115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.762115 (E_RNA) where: Base-Base interactions energy: -554.587 where: short stacking energy: -256.308 Base-Backbone interact. energy: 3.823 local terms energy: -455.998321 where: bonds (distance) C4'-P energy: -124.179 bonds (distance) P-C4' energy: -131.980 flat angles C4'-P-C4' energy: -106.908 flat angles P-C4'-P energy: -67.533 tors. eta vs tors. theta energy: -25.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -683.148373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.148373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.148373 (E_RNA) where: Base-Base interactions energy: -303.469 where: short stacking energy: -195.215 Base-Backbone interact. energy: -1.485 local terms energy: -378.193753 where: bonds (distance) C4'-P energy: -110.994 bonds (distance) P-C4' energy: -108.595 flat angles C4'-P-C4' energy: -102.393 flat angles P-C4'-P energy: -56.740 tors. eta vs tors. theta energy: 0.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2651.136868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.136868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.136868 (E_RNA) where: Base-Base interactions energy: -1850.346 where: short stacking energy: -756.698 Base-Backbone interact. energy: 2.585 local terms energy: -803.376166 where: bonds (distance) C4'-P energy: -149.006 bonds (distance) P-C4' energy: -141.224 flat angles C4'-P-C4' energy: -160.828 flat angles P-C4'-P energy: -124.093 tors. eta vs tors. theta energy: -228.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2506.026949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.026949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.026949 (E_RNA) where: Base-Base interactions energy: -1723.687 where: short stacking energy: -734.506 Base-Backbone interact. energy: -2.551 local terms energy: -779.789137 where: bonds (distance) C4'-P energy: -153.588 bonds (distance) P-C4' energy: -123.477 flat angles C4'-P-C4' energy: -164.725 flat angles P-C4'-P energy: -112.041 tors. eta vs tors. theta energy: -225.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2417.938001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.938001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.938001 (E_RNA) where: Base-Base interactions energy: -1653.602 where: short stacking energy: -705.672 Base-Backbone interact. energy: -0.223 local terms energy: -764.113115 where: bonds (distance) C4'-P energy: -134.674 bonds (distance) P-C4' energy: -149.107 flat angles C4'-P-C4' energy: -164.386 flat angles P-C4'-P energy: -104.517 tors. eta vs tors. theta energy: -211.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2239.859964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.859964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.859964 (E_RNA) where: Base-Base interactions energy: -1538.608 where: short stacking energy: -666.753 Base-Backbone interact. energy: 1.251 local terms energy: -702.502698 where: bonds (distance) C4'-P energy: -132.179 bonds (distance) P-C4' energy: -142.852 flat angles C4'-P-C4' energy: -138.664 flat angles P-C4'-P energy: -99.376 tors. eta vs tors. theta energy: -189.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2083.700750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.700750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.700750 (E_RNA) where: Base-Base interactions energy: -1440.095 where: short stacking energy: -595.461 Base-Backbone interact. energy: -3.044 local terms energy: -640.561923 where: bonds (distance) C4'-P energy: -112.308 bonds (distance) P-C4' energy: -128.846 flat angles C4'-P-C4' energy: -149.971 flat angles P-C4'-P energy: -78.797 tors. eta vs tors. theta energy: -170.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1837.006050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.006050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.006050 (E_RNA) where: Base-Base interactions energy: -1224.822 where: short stacking energy: -554.476 Base-Backbone interact. energy: -1.577 local terms energy: -610.607495 where: bonds (distance) C4'-P energy: -118.144 bonds (distance) P-C4' energy: -124.776 flat angles C4'-P-C4' energy: -141.709 flat angles P-C4'-P energy: -92.903 tors. eta vs tors. theta energy: -133.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1575.035787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.035787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.035787 (E_RNA) where: Base-Base interactions energy: -1012.460 where: short stacking energy: -450.869 Base-Backbone interact. energy: -0.563 local terms energy: -562.012314 where: bonds (distance) C4'-P energy: -117.736 bonds (distance) P-C4' energy: -114.301 flat angles C4'-P-C4' energy: -117.474 flat angles P-C4'-P energy: -88.565 tors. eta vs tors. theta energy: -123.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1191.219034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.219034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.219034 (E_RNA) where: Base-Base interactions energy: -699.618 where: short stacking energy: -324.102 Base-Backbone interact. energy: -0.648 local terms energy: -490.953738 where: bonds (distance) C4'-P energy: -117.649 bonds (distance) P-C4' energy: -137.119 flat angles C4'-P-C4' energy: -111.129 flat angles P-C4'-P energy: -83.171 tors. eta vs tors. theta energy: -41.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -954.801411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.801411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.801411 (E_RNA) where: Base-Base interactions energy: -483.137 where: short stacking energy: -260.409 Base-Backbone interact. energy: -2.448 local terms energy: -469.216174 where: bonds (distance) C4'-P energy: -135.215 bonds (distance) P-C4' energy: -136.444 flat angles C4'-P-C4' energy: -106.751 flat angles P-C4'-P energy: -74.486 tors. eta vs tors. theta energy: -16.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -705.330111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.330111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.330111 (E_RNA) where: Base-Base interactions energy: -297.073 where: short stacking energy: -183.612 Base-Backbone interact. energy: 4.210 local terms energy: -412.467056 where: bonds (distance) C4'-P energy: -115.733 bonds (distance) P-C4' energy: -128.964 flat angles C4'-P-C4' energy: -106.798 flat angles P-C4'-P energy: -67.771 tors. eta vs tors. theta energy: 6.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2644.259962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.259962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.259962 (E_RNA) where: Base-Base interactions energy: -1818.147 where: short stacking energy: -742.947 Base-Backbone interact. energy: -4.834 local terms energy: -821.279235 where: bonds (distance) C4'-P energy: -157.256 bonds (distance) P-C4' energy: -158.963 flat angles C4'-P-C4' energy: -172.969 flat angles P-C4'-P energy: -103.931 tors. eta vs tors. theta energy: -228.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2489.696168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.696168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.696168 (E_RNA) where: Base-Base interactions energy: -1686.927 where: short stacking energy: -696.392 Base-Backbone interact. energy: -1.230 local terms energy: -801.539320 where: bonds (distance) C4'-P energy: -154.452 bonds (distance) P-C4' energy: -151.829 flat angles C4'-P-C4' energy: -163.270 flat angles P-C4'-P energy: -120.021 tors. eta vs tors. theta energy: -211.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2412.768446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.768446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.768446 (E_RNA) where: Base-Base interactions energy: -1659.246 where: short stacking energy: -694.223 Base-Backbone interact. energy: 0.756 local terms energy: -754.278519 where: bonds (distance) C4'-P energy: -139.455 bonds (distance) P-C4' energy: -139.649 flat angles C4'-P-C4' energy: -162.247 flat angles P-C4'-P energy: -108.071 tors. eta vs tors. theta energy: -204.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2211.275722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.275722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.275722 (E_RNA) where: Base-Base interactions energy: -1496.665 where: short stacking energy: -650.890 Base-Backbone interact. energy: -1.158 local terms energy: -713.452012 where: bonds (distance) C4'-P energy: -125.058 bonds (distance) P-C4' energy: -156.036 flat angles C4'-P-C4' energy: -155.214 flat angles P-C4'-P energy: -92.988 tors. eta vs tors. theta energy: -184.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2141.374583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.374583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.374583 (E_RNA) where: Base-Base interactions energy: -1439.954 where: short stacking energy: -596.251 Base-Backbone interact. energy: -3.278 local terms energy: -698.142160 where: bonds (distance) C4'-P energy: -136.478 bonds (distance) P-C4' energy: -153.633 flat angles C4'-P-C4' energy: -157.802 flat angles P-C4'-P energy: -90.376 tors. eta vs tors. theta energy: -159.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1929.919749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.919749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.919749 (E_RNA) where: Base-Base interactions energy: -1275.824 where: short stacking energy: -574.571 Base-Backbone interact. energy: 2.547 local terms energy: -656.643248 where: bonds (distance) C4'-P energy: -138.467 bonds (distance) P-C4' energy: -132.328 flat angles C4'-P-C4' energy: -128.802 flat angles P-C4'-P energy: -112.465 tors. eta vs tors. theta energy: -144.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1556.887872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.887872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.887872 (E_RNA) where: Base-Base interactions energy: -968.043 where: short stacking energy: -443.411 Base-Backbone interact. energy: -1.014 local terms energy: -587.830371 where: bonds (distance) C4'-P energy: -124.538 bonds (distance) P-C4' energy: -122.693 flat angles C4'-P-C4' energy: -155.839 flat angles P-C4'-P energy: -86.560 tors. eta vs tors. theta energy: -98.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1250.152624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.152624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.152624 (E_RNA) where: Base-Base interactions energy: -758.089 where: short stacking energy: -349.696 Base-Backbone interact. energy: 3.120 local terms energy: -495.183421 where: bonds (distance) C4'-P energy: -126.245 bonds (distance) P-C4' energy: -131.015 flat angles C4'-P-C4' energy: -117.903 flat angles P-C4'-P energy: -64.826 tors. eta vs tors. theta energy: -55.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -892.594125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.594125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.594125 (E_RNA) where: Base-Base interactions energy: -470.884 where: short stacking energy: -255.558 Base-Backbone interact. energy: -2.520 local terms energy: -419.190228 where: bonds (distance) C4'-P energy: -120.905 bonds (distance) P-C4' energy: -129.845 flat angles C4'-P-C4' energy: -107.306 flat angles P-C4'-P energy: -60.546 tors. eta vs tors. theta energy: -0.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -699.229659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.229659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.229659 (E_RNA) where: Base-Base interactions energy: -320.929 where: short stacking energy: -208.937 Base-Backbone interact. energy: -4.332 local terms energy: -373.968714 where: bonds (distance) C4'-P energy: -121.724 bonds (distance) P-C4' energy: -121.977 flat angles C4'-P-C4' energy: -99.190 flat angles P-C4'-P energy: -44.301 tors. eta vs tors. theta energy: 13.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2621.109051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.109051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.109051 (E_RNA) where: Base-Base interactions energy: -1803.657 where: short stacking energy: -741.854 Base-Backbone interact. energy: -4.135 local terms energy: -813.316709 where: bonds (distance) C4'-P energy: -142.534 bonds (distance) P-C4' energy: -162.643 flat angles C4'-P-C4' energy: -175.472 flat angles P-C4'-P energy: -109.358 tors. eta vs tors. theta energy: -223.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2488.150182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.150182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.150182 (E_RNA) where: Base-Base interactions energy: -1703.097 where: short stacking energy: -735.773 Base-Backbone interact. energy: 0.646 local terms energy: -785.699397 where: bonds (distance) C4'-P energy: -126.778 bonds (distance) P-C4' energy: -157.119 flat angles C4'-P-C4' energy: -176.370 flat angles P-C4'-P energy: -113.729 tors. eta vs tors. theta energy: -211.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2491.063218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.063218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.063218 (E_RNA) where: Base-Base interactions energy: -1689.595 where: short stacking energy: -720.329 Base-Backbone interact. energy: -3.242 local terms energy: -798.226379 where: bonds (distance) C4'-P energy: -147.905 bonds (distance) P-C4' energy: -150.815 flat angles C4'-P-C4' energy: -170.801 flat angles P-C4'-P energy: -112.199 tors. eta vs tors. theta energy: -216.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2239.236176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.236176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.236176 (E_RNA) where: Base-Base interactions energy: -1502.496 where: short stacking energy: -665.838 Base-Backbone interact. energy: -3.565 local terms energy: -733.174811 where: bonds (distance) C4'-P energy: -145.537 bonds (distance) P-C4' energy: -130.627 flat angles C4'-P-C4' energy: -160.550 flat angles P-C4'-P energy: -112.133 tors. eta vs tors. theta energy: -184.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2109.790673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.790673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.790673 (E_RNA) where: Base-Base interactions energy: -1402.967 where: short stacking energy: -612.923 Base-Backbone interact. energy: -3.314 local terms energy: -703.509699 where: bonds (distance) C4'-P energy: -130.527 bonds (distance) P-C4' energy: -134.879 flat angles C4'-P-C4' energy: -158.327 flat angles P-C4'-P energy: -102.362 tors. eta vs tors. theta energy: -177.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1886.805016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.805016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.805016 (E_RNA) where: Base-Base interactions energy: -1246.106 where: short stacking energy: -535.086 Base-Backbone interact. energy: 3.367 local terms energy: -644.066327 where: bonds (distance) C4'-P energy: -127.118 bonds (distance) P-C4' energy: -147.253 flat angles C4'-P-C4' energy: -149.671 flat angles P-C4'-P energy: -87.596 tors. eta vs tors. theta energy: -132.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1649.141325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.141325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.141325 (E_RNA) where: Base-Base interactions energy: -1065.779 where: short stacking energy: -456.824 Base-Backbone interact. energy: -1.794 local terms energy: -581.568195 where: bonds (distance) C4'-P energy: -118.530 bonds (distance) P-C4' energy: -137.036 flat angles C4'-P-C4' energy: -141.196 flat angles P-C4'-P energy: -82.979 tors. eta vs tors. theta energy: -101.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1298.251580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.251580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.251580 (E_RNA) where: Base-Base interactions energy: -780.758 where: short stacking energy: -364.914 Base-Backbone interact. energy: -3.790 local terms energy: -513.703743 where: bonds (distance) C4'-P energy: -125.878 bonds (distance) P-C4' energy: -144.929 flat angles C4'-P-C4' energy: -111.021 flat angles P-C4'-P energy: -78.438 tors. eta vs tors. theta energy: -53.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -923.436304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.436304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.436304 (E_RNA) where: Base-Base interactions energy: -488.130 where: short stacking energy: -259.303 Base-Backbone interact. energy: 6.472 local terms energy: -441.778047 where: bonds (distance) C4'-P energy: -127.231 bonds (distance) P-C4' energy: -126.231 flat angles C4'-P-C4' energy: -115.208 flat angles P-C4'-P energy: -69.754 tors. eta vs tors. theta energy: -3.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -712.790206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.790206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.790206 (E_RNA) where: Base-Base interactions energy: -316.694 where: short stacking energy: -202.090 Base-Backbone interact. energy: 2.591 local terms energy: -398.686673 where: bonds (distance) C4'-P energy: -116.064 bonds (distance) P-C4' energy: -120.402 flat angles C4'-P-C4' energy: -115.362 flat angles P-C4'-P energy: -59.367 tors. eta vs tors. theta energy: 12.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2632.228875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.228875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.228875 (E_RNA) where: Base-Base interactions energy: -1822.500 where: short stacking energy: -757.327 Base-Backbone interact. energy: -4.877 local terms energy: -804.851598 where: bonds (distance) C4'-P energy: -155.221 bonds (distance) P-C4' energy: -151.176 flat angles C4'-P-C4' energy: -162.873 flat angles P-C4'-P energy: -108.060 tors. eta vs tors. theta energy: -227.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2477.028484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.028484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.028484 (E_RNA) where: Base-Base interactions energy: -1688.488 where: short stacking energy: -718.840 Base-Backbone interact. energy: -2.596 local terms energy: -785.944177 where: bonds (distance) C4'-P energy: -148.133 bonds (distance) P-C4' energy: -153.595 flat angles C4'-P-C4' energy: -170.990 flat angles P-C4'-P energy: -108.264 tors. eta vs tors. theta energy: -204.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2468.154360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.154360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.154360 (E_RNA) where: Base-Base interactions energy: -1680.941 where: short stacking energy: -723.691 Base-Backbone interact. energy: -3.290 local terms energy: -783.924056 where: bonds (distance) C4'-P energy: -149.051 bonds (distance) P-C4' energy: -157.393 flat angles C4'-P-C4' energy: -155.345 flat angles P-C4'-P energy: -106.603 tors. eta vs tors. theta energy: -215.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2208.608789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.608789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.608789 (E_RNA) where: Base-Base interactions energy: -1502.106 where: short stacking energy: -648.517 Base-Backbone interact. energy: 3.726 local terms energy: -710.229058 where: bonds (distance) C4'-P energy: -123.839 bonds (distance) P-C4' energy: -148.856 flat angles C4'-P-C4' energy: -154.368 flat angles P-C4'-P energy: -100.827 tors. eta vs tors. theta energy: -182.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2107.819834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.819834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.819834 (E_RNA) where: Base-Base interactions energy: -1434.938 where: short stacking energy: -592.709 Base-Backbone interact. energy: -3.335 local terms energy: -669.547432 where: bonds (distance) C4'-P energy: -134.375 bonds (distance) P-C4' energy: -135.387 flat angles C4'-P-C4' energy: -149.092 flat angles P-C4'-P energy: -91.715 tors. eta vs tors. theta energy: -158.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1893.725726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.725726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.725726 (E_RNA) where: Base-Base interactions energy: -1255.310 where: short stacking energy: -548.635 Base-Backbone interact. energy: 2.984 local terms energy: -641.399732 where: bonds (distance) C4'-P energy: -142.292 bonds (distance) P-C4' energy: -135.828 flat angles C4'-P-C4' energy: -149.067 flat angles P-C4'-P energy: -76.599 tors. eta vs tors. theta energy: -137.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1643.393891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.393891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.393891 (E_RNA) where: Base-Base interactions energy: -1078.873 where: short stacking energy: -467.970 Base-Backbone interact. energy: 1.700 local terms energy: -566.220708 where: bonds (distance) C4'-P energy: -128.293 bonds (distance) P-C4' energy: -137.978 flat angles C4'-P-C4' energy: -118.891 flat angles P-C4'-P energy: -83.351 tors. eta vs tors. theta energy: -97.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1322.635629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.635629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.635629 (E_RNA) where: Base-Base interactions energy: -840.687 where: short stacking energy: -364.923 Base-Backbone interact. energy: 1.459 local terms energy: -483.407074 where: bonds (distance) C4'-P energy: -100.601 bonds (distance) P-C4' energy: -116.282 flat angles C4'-P-C4' energy: -134.206 flat angles P-C4'-P energy: -79.455 tors. eta vs tors. theta energy: -52.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -888.147696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.147696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.147696 (E_RNA) where: Base-Base interactions energy: -451.714 where: short stacking energy: -253.882 Base-Backbone interact. energy: -2.425 local terms energy: -434.008559 where: bonds (distance) C4'-P energy: -109.772 bonds (distance) P-C4' energy: -147.984 flat angles C4'-P-C4' energy: -95.984 flat angles P-C4'-P energy: -67.342 tors. eta vs tors. theta energy: -12.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -756.267587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.267587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.267587 (E_RNA) where: Base-Base interactions energy: -374.402 where: short stacking energy: -209.791 Base-Backbone interact. energy: 2.711 local terms energy: -384.576860 where: bonds (distance) C4'-P energy: -114.361 bonds (distance) P-C4' energy: -116.808 flat angles C4'-P-C4' energy: -104.595 flat angles P-C4'-P energy: -46.419 tors. eta vs tors. theta energy: -2.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2628.678743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.678743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.678743 (E_RNA) where: Base-Base interactions energy: -1830.214 where: short stacking energy: -781.268 Base-Backbone interact. energy: -1.288 local terms energy: -797.176092 where: bonds (distance) C4'-P energy: -140.809 bonds (distance) P-C4' energy: -150.032 flat angles C4'-P-C4' energy: -179.519 flat angles P-C4'-P energy: -98.435 tors. eta vs tors. theta energy: -228.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2493.696876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.696876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.696876 (E_RNA) where: Base-Base interactions energy: -1731.372 where: short stacking energy: -737.697 Base-Backbone interact. energy: -2.398 local terms energy: -759.926947 where: bonds (distance) C4'-P energy: -120.897 bonds (distance) P-C4' energy: -145.084 flat angles C4'-P-C4' energy: -160.941 flat angles P-C4'-P energy: -105.944 tors. eta vs tors. theta energy: -227.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2466.840820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.840820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.840820 (E_RNA) where: Base-Base interactions energy: -1682.284 where: short stacking energy: -740.750 Base-Backbone interact. energy: -3.802 local terms energy: -780.755258 where: bonds (distance) C4'-P energy: -137.843 bonds (distance) P-C4' energy: -146.734 flat angles C4'-P-C4' energy: -173.053 flat angles P-C4'-P energy: -106.786 tors. eta vs tors. theta energy: -216.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2204.080271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.080271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.080271 (E_RNA) where: Base-Base interactions energy: -1493.036 where: short stacking energy: -632.006 Base-Backbone interact. energy: -1.510 local terms energy: -709.534413 where: bonds (distance) C4'-P energy: -144.127 bonds (distance) P-C4' energy: -133.952 flat angles C4'-P-C4' energy: -154.446 flat angles P-C4'-P energy: -110.882 tors. eta vs tors. theta energy: -166.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2117.796553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.796553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.796553 (E_RNA) where: Base-Base interactions energy: -1450.984 where: short stacking energy: -649.081 Base-Backbone interact. energy: 4.907 local terms energy: -671.719897 where: bonds (distance) C4'-P energy: -114.101 bonds (distance) P-C4' energy: -129.655 flat angles C4'-P-C4' energy: -154.996 flat angles P-C4'-P energy: -91.784 tors. eta vs tors. theta energy: -181.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1817.328651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.328651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.328651 (E_RNA) where: Base-Base interactions energy: -1192.114 where: short stacking energy: -517.384 Base-Backbone interact. energy: 3.037 local terms energy: -628.251754 where: bonds (distance) C4'-P energy: -123.601 bonds (distance) P-C4' energy: -127.247 flat angles C4'-P-C4' energy: -141.990 flat angles P-C4'-P energy: -96.208 tors. eta vs tors. theta energy: -139.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1676.669869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.669869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.669869 (E_RNA) where: Base-Base interactions energy: -1058.124 where: short stacking energy: -477.850 Base-Backbone interact. energy: -0.954 local terms energy: -618.023381 where: bonds (distance) C4'-P energy: -138.088 bonds (distance) P-C4' energy: -126.208 flat angles C4'-P-C4' energy: -141.913 flat angles P-C4'-P energy: -82.570 tors. eta vs tors. theta energy: -129.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.431 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1396.926845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.926845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.926845 (E_RNA) where: Base-Base interactions energy: -868.709 where: short stacking energy: -396.195 Base-Backbone interact. energy: 5.118 local terms energy: -533.335246 where: bonds (distance) C4'-P energy: -122.335 bonds (distance) P-C4' energy: -131.914 flat angles C4'-P-C4' energy: -127.597 flat angles P-C4'-P energy: -72.887 tors. eta vs tors. theta energy: -78.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -838.176603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.176603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.176603 (E_RNA) where: Base-Base interactions energy: -403.515 where: short stacking energy: -195.091 Base-Backbone interact. energy: -2.307 local terms energy: -432.354480 where: bonds (distance) C4'-P energy: -109.749 bonds (distance) P-C4' energy: -128.023 flat angles C4'-P-C4' energy: -112.307 flat angles P-C4'-P energy: -70.534 tors. eta vs tors. theta energy: -11.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -682.819442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.819442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.819442 (E_RNA) where: Base-Base interactions energy: -280.373 where: short stacking energy: -164.974 Base-Backbone interact. energy: -2.763 local terms energy: -399.684083 where: bonds (distance) C4'-P energy: -125.663 bonds (distance) P-C4' energy: -145.060 flat angles C4'-P-C4' energy: -98.561 flat angles P-C4'-P energy: -72.104 tors. eta vs tors. theta energy: 41.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2622.755935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.755935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.755935 (E_RNA) where: Base-Base interactions energy: -1809.237 where: short stacking energy: -759.398 Base-Backbone interact. energy: -4.700 local terms energy: -808.818650 where: bonds (distance) C4'-P energy: -156.629 bonds (distance) P-C4' energy: -152.339 flat angles C4'-P-C4' energy: -167.397 flat angles P-C4'-P energy: -106.151 tors. eta vs tors. theta energy: -226.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2515.425122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.425122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.425122 (E_RNA) where: Base-Base interactions energy: -1718.895 where: short stacking energy: -740.065 Base-Backbone interact. energy: -1.446 local terms energy: -795.084872 where: bonds (distance) C4'-P energy: -145.322 bonds (distance) P-C4' energy: -152.231 flat angles C4'-P-C4' energy: -158.943 flat angles P-C4'-P energy: -112.423 tors. eta vs tors. theta energy: -226.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2454.332361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.332361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.332361 (E_RNA) where: Base-Base interactions energy: -1684.087 where: short stacking energy: -733.602 Base-Backbone interact. energy: -5.020 local terms energy: -765.225923 where: bonds (distance) C4'-P energy: -120.710 bonds (distance) P-C4' energy: -140.738 flat angles C4'-P-C4' energy: -170.753 flat angles P-C4'-P energy: -108.397 tors. eta vs tors. theta energy: -224.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2170.633040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.633040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.633040 (E_RNA) where: Base-Base interactions energy: -1458.678 where: short stacking energy: -608.416 Base-Backbone interact. energy: 0.897 local terms energy: -712.852286 where: bonds (distance) C4'-P energy: -145.792 bonds (distance) P-C4' energy: -148.743 flat angles C4'-P-C4' energy: -147.926 flat angles P-C4'-P energy: -106.652 tors. eta vs tors. theta energy: -163.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2058.934058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.934058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.934058 (E_RNA) where: Base-Base interactions energy: -1396.525 where: short stacking energy: -569.834 Base-Backbone interact. energy: -1.633 local terms energy: -660.775464 where: bonds (distance) C4'-P energy: -122.317 bonds (distance) P-C4' energy: -144.986 flat angles C4'-P-C4' energy: -147.586 flat angles P-C4'-P energy: -78.973 tors. eta vs tors. theta energy: -166.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1848.632872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.632872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.632872 (E_RNA) where: Base-Base interactions energy: -1229.613 where: short stacking energy: -547.716 Base-Backbone interact. energy: -2.203 local terms energy: -616.816879 where: bonds (distance) C4'-P energy: -134.399 bonds (distance) P-C4' energy: -132.850 flat angles C4'-P-C4' energy: -135.267 flat angles P-C4'-P energy: -73.029 tors. eta vs tors. theta energy: -141.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1663.348926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.348926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.348926 (E_RNA) where: Base-Base interactions energy: -1099.445 where: short stacking energy: -468.930 Base-Backbone interact. energy: 1.122 local terms energy: -565.025857 where: bonds (distance) C4'-P energy: -128.889 bonds (distance) P-C4' energy: -131.327 flat angles C4'-P-C4' energy: -125.703 flat angles P-C4'-P energy: -76.696 tors. eta vs tors. theta energy: -102.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1355.646964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.646964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.646964 (E_RNA) where: Base-Base interactions energy: -855.432 where: short stacking energy: -391.220 Base-Backbone interact. energy: 6.041 local terms energy: -506.256440 where: bonds (distance) C4'-P energy: -123.285 bonds (distance) P-C4' energy: -123.647 flat angles C4'-P-C4' energy: -124.245 flat angles P-C4'-P energy: -56.982 tors. eta vs tors. theta energy: -78.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -837.272627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.272627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.272627 (E_RNA) where: Base-Base interactions energy: -410.049 where: short stacking energy: -222.121 Base-Backbone interact. energy: 3.420 local terms energy: -430.643363 where: bonds (distance) C4'-P energy: -125.402 bonds (distance) P-C4' energy: -124.480 flat angles C4'-P-C4' energy: -128.775 flat angles P-C4'-P energy: -67.349 tors. eta vs tors. theta energy: 15.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -703.570260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.570260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.570260 (E_RNA) where: Base-Base interactions energy: -324.269 where: short stacking energy: -193.903 Base-Backbone interact. energy: 2.666 local terms energy: -381.967316 where: bonds (distance) C4'-P energy: -102.387 bonds (distance) P-C4' energy: -104.875 flat angles C4'-P-C4' energy: -116.793 flat angles P-C4'-P energy: -64.694 tors. eta vs tors. theta energy: 6.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2654.735593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.735593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.735593 (E_RNA) where: Base-Base interactions energy: -1834.261 where: short stacking energy: -763.223 Base-Backbone interact. energy: -0.235 local terms energy: -820.239209 where: bonds (distance) C4'-P energy: -151.673 bonds (distance) P-C4' energy: -144.419 flat angles C4'-P-C4' energy: -175.403 flat angles P-C4'-P energy: -112.281 tors. eta vs tors. theta energy: -236.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2503.877049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.877049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.877049 (E_RNA) where: Base-Base interactions energy: -1723.492 where: short stacking energy: -714.720 Base-Backbone interact. energy: -4.038 local terms energy: -776.347515 where: bonds (distance) C4'-P energy: -147.585 bonds (distance) P-C4' energy: -139.676 flat angles C4'-P-C4' energy: -162.201 flat angles P-C4'-P energy: -111.718 tors. eta vs tors. theta energy: -215.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2529.807667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.807667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.807667 (E_RNA) where: Base-Base interactions energy: -1717.021 where: short stacking energy: -757.830 Base-Backbone interact. energy: -4.344 local terms energy: -808.442365 where: bonds (distance) C4'-P energy: -134.092 bonds (distance) P-C4' energy: -155.155 flat angles C4'-P-C4' energy: -181.919 flat angles P-C4'-P energy: -119.663 tors. eta vs tors. theta energy: -217.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2131.837838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.837838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.837838 (E_RNA) where: Base-Base interactions energy: -1429.963 where: short stacking energy: -620.458 Base-Backbone interact. energy: 3.581 local terms energy: -705.455722 where: bonds (distance) C4'-P energy: -153.643 bonds (distance) P-C4' energy: -131.260 flat angles C4'-P-C4' energy: -166.560 flat angles P-C4'-P energy: -96.235 tors. eta vs tors. theta energy: -157.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2092.997628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.997628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.997628 (E_RNA) where: Base-Base interactions energy: -1409.346 where: short stacking energy: -607.328 Base-Backbone interact. energy: 0.129 local terms energy: -683.781252 where: bonds (distance) C4'-P energy: -132.386 bonds (distance) P-C4' energy: -132.217 flat angles C4'-P-C4' energy: -153.800 flat angles P-C4'-P energy: -99.265 tors. eta vs tors. theta energy: -166.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1838.178508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.178508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.178508 (E_RNA) where: Base-Base interactions energy: -1214.910 where: short stacking energy: -560.432 Base-Backbone interact. energy: 0.390 local terms energy: -623.658628 where: bonds (distance) C4'-P energy: -122.700 bonds (distance) P-C4' energy: -130.227 flat angles C4'-P-C4' energy: -141.883 flat angles P-C4'-P energy: -79.797 tors. eta vs tors. theta energy: -149.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1701.631682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.631682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.631682 (E_RNA) where: Base-Base interactions energy: -1139.932 where: short stacking energy: -505.849 Base-Backbone interact. energy: 0.106 local terms energy: -561.806079 where: bonds (distance) C4'-P energy: -117.728 bonds (distance) P-C4' energy: -128.424 flat angles C4'-P-C4' energy: -119.487 flat angles P-C4'-P energy: -85.270 tors. eta vs tors. theta energy: -110.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1369.433374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.433374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.433374 (E_RNA) where: Base-Base interactions energy: -855.772 where: short stacking energy: -384.510 Base-Backbone interact. energy: 0.101 local terms energy: -514.412123 where: bonds (distance) C4'-P energy: -101.686 bonds (distance) P-C4' energy: -146.264 flat angles C4'-P-C4' energy: -118.181 flat angles P-C4'-P energy: -67.460 tors. eta vs tors. theta energy: -80.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.650 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -834.655812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.655812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.655812 (E_RNA) where: Base-Base interactions energy: -421.037 where: short stacking energy: -204.663 Base-Backbone interact. energy: 1.009 local terms energy: -414.627868 where: bonds (distance) C4'-P energy: -131.708 bonds (distance) P-C4' energy: -116.876 flat angles C4'-P-C4' energy: -113.247 flat angles P-C4'-P energy: -70.044 tors. eta vs tors. theta energy: 17.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -736.287437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.287437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.287437 (E_RNA) where: Base-Base interactions energy: -337.132 where: short stacking energy: -202.497 Base-Backbone interact. energy: -1.745 local terms energy: -397.411197 where: bonds (distance) C4'-P energy: -112.345 bonds (distance) P-C4' energy: -123.596 flat angles C4'-P-C4' energy: -98.378 flat angles P-C4'-P energy: -59.928 tors. eta vs tors. theta energy: -3.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2633.503003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.503003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.503003 (E_RNA) where: Base-Base interactions energy: -1837.772 where: short stacking energy: -793.684 Base-Backbone interact. energy: -0.598 local terms energy: -795.133306 where: bonds (distance) C4'-P energy: -147.460 bonds (distance) P-C4' energy: -153.422 flat angles C4'-P-C4' energy: -163.455 flat angles P-C4'-P energy: -105.548 tors. eta vs tors. theta energy: -225.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2507.606936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.606936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.606936 (E_RNA) where: Base-Base interactions energy: -1706.854 where: short stacking energy: -746.832 Base-Backbone interact. energy: -2.463 local terms energy: -798.290011 where: bonds (distance) C4'-P energy: -136.172 bonds (distance) P-C4' energy: -164.554 flat angles C4'-P-C4' energy: -167.026 flat angles P-C4'-P energy: -101.693 tors. eta vs tors. theta energy: -228.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2459.786137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.786137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.786137 (E_RNA) where: Base-Base interactions energy: -1678.757 where: short stacking energy: -720.048 Base-Backbone interact. energy: 0.577 local terms energy: -781.606000 where: bonds (distance) C4'-P energy: -133.619 bonds (distance) P-C4' energy: -162.018 flat angles C4'-P-C4' energy: -169.186 flat angles P-C4'-P energy: -108.669 tors. eta vs tors. theta energy: -208.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2154.046212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.046212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.046212 (E_RNA) where: Base-Base interactions energy: -1501.387 where: short stacking energy: -633.505 Base-Backbone interact. energy: 1.639 local terms energy: -654.297826 where: bonds (distance) C4'-P energy: -127.227 bonds (distance) P-C4' energy: -147.082 flat angles C4'-P-C4' energy: -129.614 flat angles P-C4'-P energy: -87.069 tors. eta vs tors. theta energy: -163.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2060.161869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.161869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.161869 (E_RNA) where: Base-Base interactions energy: -1389.094 where: short stacking energy: -597.269 Base-Backbone interact. energy: -3.917 local terms energy: -667.150825 where: bonds (distance) C4'-P energy: -145.973 bonds (distance) P-C4' energy: -124.858 flat angles C4'-P-C4' energy: -134.790 flat angles P-C4'-P energy: -95.513 tors. eta vs tors. theta energy: -166.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1814.402791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.402791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.402791 (E_RNA) where: Base-Base interactions energy: -1198.178 where: short stacking energy: -519.418 Base-Backbone interact. energy: -0.304 local terms energy: -615.920593 where: bonds (distance) C4'-P energy: -138.073 bonds (distance) P-C4' energy: -113.208 flat angles C4'-P-C4' energy: -145.947 flat angles P-C4'-P energy: -91.721 tors. eta vs tors. theta energy: -126.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1707.898610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.898610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.898610 (E_RNA) where: Base-Base interactions energy: -1122.775 where: short stacking energy: -497.466 Base-Backbone interact. energy: -2.131 local terms energy: -582.993045 where: bonds (distance) C4'-P energy: -120.612 bonds (distance) P-C4' energy: -124.455 flat angles C4'-P-C4' energy: -140.171 flat angles P-C4'-P energy: -85.655 tors. eta vs tors. theta energy: -112.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1324.834315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.834315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.834315 (E_RNA) where: Base-Base interactions energy: -800.298 where: short stacking energy: -344.987 Base-Backbone interact. energy: -1.808 local terms energy: -522.728302 where: bonds (distance) C4'-P energy: -116.898 bonds (distance) P-C4' energy: -138.263 flat angles C4'-P-C4' energy: -123.189 flat angles P-C4'-P energy: -89.639 tors. eta vs tors. theta energy: -54.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -789.677914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.677914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.677914 (E_RNA) where: Base-Base interactions energy: -398.946 where: short stacking energy: -251.425 Base-Backbone interact. energy: 0.756 local terms energy: -391.487613 where: bonds (distance) C4'-P energy: -102.082 bonds (distance) P-C4' energy: -112.422 flat angles C4'-P-C4' energy: -114.152 flat angles P-C4'-P energy: -71.860 tors. eta vs tors. theta energy: 9.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -782.351213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.351213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.351213 (E_RNA) where: Base-Base interactions energy: -358.229 where: short stacking energy: -223.616 Base-Backbone interact. energy: 1.356 local terms energy: -425.478699 where: bonds (distance) C4'-P energy: -93.309 bonds (distance) P-C4' energy: -128.001 flat angles C4'-P-C4' energy: -108.714 flat angles P-C4'-P energy: -86.078 tors. eta vs tors. theta energy: -9.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2626.289996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.289996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.289996 (E_RNA) where: Base-Base interactions energy: -1824.478 where: short stacking energy: -761.180 Base-Backbone interact. energy: -5.042 local terms energy: -796.769646 where: bonds (distance) C4'-P energy: -136.423 bonds (distance) P-C4' energy: -156.277 flat angles C4'-P-C4' energy: -165.909 flat angles P-C4'-P energy: -105.153 tors. eta vs tors. theta energy: -233.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2483.078049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.078049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.078049 (E_RNA) where: Base-Base interactions energy: -1693.274 where: short stacking energy: -739.228 Base-Backbone interact. energy: 0.273 local terms energy: -790.077357 where: bonds (distance) C4'-P energy: -144.748 bonds (distance) P-C4' energy: -158.544 flat angles C4'-P-C4' energy: -165.214 flat angles P-C4'-P energy: -108.577 tors. eta vs tors. theta energy: -212.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2452.873493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.873493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.873493 (E_RNA) where: Base-Base interactions energy: -1693.873 where: short stacking energy: -735.611 Base-Backbone interact. energy: -2.350 local terms energy: -756.650088 where: bonds (distance) C4'-P energy: -137.877 bonds (distance) P-C4' energy: -140.586 flat angles C4'-P-C4' energy: -156.533 flat angles P-C4'-P energy: -106.873 tors. eta vs tors. theta energy: -214.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2198.232301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.232301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.232301 (E_RNA) where: Base-Base interactions energy: -1467.361 where: short stacking energy: -643.715 Base-Backbone interact. energy: 1.145 local terms energy: -732.016021 where: bonds (distance) C4'-P energy: -145.170 bonds (distance) P-C4' energy: -153.074 flat angles C4'-P-C4' energy: -148.514 flat angles P-C4'-P energy: -105.230 tors. eta vs tors. theta energy: -180.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2107.903637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.903637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.903637 (E_RNA) where: Base-Base interactions energy: -1430.614 where: short stacking energy: -619.743 Base-Backbone interact. energy: -0.226 local terms energy: -677.063671 where: bonds (distance) C4'-P energy: -124.582 bonds (distance) P-C4' energy: -140.910 flat angles C4'-P-C4' energy: -150.984 flat angles P-C4'-P energy: -93.731 tors. eta vs tors. theta energy: -166.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1828.657154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.657154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.657154 (E_RNA) where: Base-Base interactions energy: -1202.247 where: short stacking energy: -531.325 Base-Backbone interact. energy: -1.722 local terms energy: -624.688498 where: bonds (distance) C4'-P energy: -123.681 bonds (distance) P-C4' energy: -146.946 flat angles C4'-P-C4' energy: -127.640 flat angles P-C4'-P energy: -93.779 tors. eta vs tors. theta energy: -132.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1712.061608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.061608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.061608 (E_RNA) where: Base-Base interactions energy: -1099.175 where: short stacking energy: -471.445 Base-Backbone interact. energy: -2.076 local terms energy: -610.810144 where: bonds (distance) C4'-P energy: -121.802 bonds (distance) P-C4' energy: -119.043 flat angles C4'-P-C4' energy: -152.749 flat angles P-C4'-P energy: -100.398 tors. eta vs tors. theta energy: -116.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1353.115872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.115872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.115872 (E_RNA) where: Base-Base interactions energy: -866.735 where: short stacking energy: -395.410 Base-Backbone interact. energy: 1.287 local terms energy: -487.667915 where: bonds (distance) C4'-P energy: -114.051 bonds (distance) P-C4' energy: -125.183 flat angles C4'-P-C4' energy: -119.233 flat angles P-C4'-P energy: -60.473 tors. eta vs tors. theta energy: -68.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -782.717818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.717818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.717818 (E_RNA) where: Base-Base interactions energy: -386.549 where: short stacking energy: -254.005 Base-Backbone interact. energy: 1.085 local terms energy: -397.253388 where: bonds (distance) C4'-P energy: -91.579 bonds (distance) P-C4' energy: -124.190 flat angles C4'-P-C4' energy: -114.399 flat angles P-C4'-P energy: -65.787 tors. eta vs tors. theta energy: -1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -796.074529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.074529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.074529 (E_RNA) where: Base-Base interactions energy: -380.445 where: short stacking energy: -212.293 Base-Backbone interact. energy: 1.399 local terms energy: -417.027781 where: bonds (distance) C4'-P energy: -114.073 bonds (distance) P-C4' energy: -120.813 flat angles C4'-P-C4' energy: -103.967 flat angles P-C4'-P energy: -78.970 tors. eta vs tors. theta energy: 0.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2564.848827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.848827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.848827 (E_RNA) where: Base-Base interactions energy: -1764.052 where: short stacking energy: -740.916 Base-Backbone interact. energy: -1.616 local terms energy: -799.180464 where: bonds (distance) C4'-P energy: -153.420 bonds (distance) P-C4' energy: -150.314 flat angles C4'-P-C4' energy: -169.726 flat angles P-C4'-P energy: -113.907 tors. eta vs tors. theta energy: -211.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2555.481806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.481806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.481806 (E_RNA) where: Base-Base interactions energy: -1746.938 where: short stacking energy: -712.696 Base-Backbone interact. energy: 1.029 local terms energy: -809.572817 where: bonds (distance) C4'-P energy: -149.090 bonds (distance) P-C4' energy: -158.830 flat angles C4'-P-C4' energy: -164.585 flat angles P-C4'-P energy: -121.228 tors. eta vs tors. theta energy: -215.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2469.372288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.372288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.372288 (E_RNA) where: Base-Base interactions energy: -1677.515 where: short stacking energy: -743.500 Base-Backbone interact. energy: -3.862 local terms energy: -787.995762 where: bonds (distance) C4'-P energy: -139.055 bonds (distance) P-C4' energy: -153.210 flat angles C4'-P-C4' energy: -174.165 flat angles P-C4'-P energy: -93.248 tors. eta vs tors. theta energy: -228.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2157.282363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.282363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.282363 (E_RNA) where: Base-Base interactions energy: -1457.388 where: short stacking energy: -615.084 Base-Backbone interact. energy: -2.555 local terms energy: -697.339955 where: bonds (distance) C4'-P energy: -127.557 bonds (distance) P-C4' energy: -134.423 flat angles C4'-P-C4' energy: -151.500 flat angles P-C4'-P energy: -105.901 tors. eta vs tors. theta energy: -177.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2100.123548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.123548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.123548 (E_RNA) where: Base-Base interactions energy: -1423.768 where: short stacking energy: -595.560 Base-Backbone interact. energy: -2.513 local terms energy: -673.842839 where: bonds (distance) C4'-P energy: -120.046 bonds (distance) P-C4' energy: -145.090 flat angles C4'-P-C4' energy: -155.876 flat angles P-C4'-P energy: -88.550 tors. eta vs tors. theta energy: -164.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1812.965390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.965390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.965390 (E_RNA) where: Base-Base interactions energy: -1176.994 where: short stacking energy: -504.994 Base-Backbone interact. energy: -1.487 local terms energy: -634.483618 where: bonds (distance) C4'-P energy: -130.665 bonds (distance) P-C4' energy: -143.881 flat angles C4'-P-C4' energy: -142.080 flat angles P-C4'-P energy: -95.507 tors. eta vs tors. theta energy: -122.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1686.228383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.228383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.228383 (E_RNA) where: Base-Base interactions energy: -1098.708 where: short stacking energy: -483.381 Base-Backbone interact. energy: -5.141 local terms energy: -582.379386 where: bonds (distance) C4'-P energy: -121.171 bonds (distance) P-C4' energy: -136.508 flat angles C4'-P-C4' energy: -128.568 flat angles P-C4'-P energy: -79.230 tors. eta vs tors. theta energy: -116.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1398.467217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.467217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.467217 (E_RNA) where: Base-Base interactions energy: -856.177 where: short stacking energy: -380.276 Base-Backbone interact. energy: -3.208 local terms energy: -539.082110 where: bonds (distance) C4'-P energy: -115.230 bonds (distance) P-C4' energy: -142.280 flat angles C4'-P-C4' energy: -131.536 flat angles P-C4'-P energy: -77.197 tors. eta vs tors. theta energy: -72.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -866.879034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.879034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.879034 (E_RNA) where: Base-Base interactions energy: -425.513 where: short stacking energy: -255.307 Base-Backbone interact. energy: -0.499 local terms energy: -440.866629 where: bonds (distance) C4'-P energy: -106.570 bonds (distance) P-C4' energy: -109.103 flat angles C4'-P-C4' energy: -130.917 flat angles P-C4'-P energy: -81.034 tors. eta vs tors. theta energy: -13.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -705.165985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.165985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.165985 (E_RNA) where: Base-Base interactions energy: -349.830 where: short stacking energy: -214.502 Base-Backbone interact. energy: 1.435 local terms energy: -356.770971 where: bonds (distance) C4'-P energy: -119.925 bonds (distance) P-C4' energy: -107.220 flat angles C4'-P-C4' energy: -90.820 flat angles P-C4'-P energy: -63.725 tors. eta vs tors. theta energy: 24.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2579.596902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.596902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.596902 (E_RNA) where: Base-Base interactions energy: -1777.117 where: short stacking energy: -752.123 Base-Backbone interact. energy: -0.702 local terms energy: -801.777553 where: bonds (distance) C4'-P energy: -143.071 bonds (distance) P-C4' energy: -158.241 flat angles C4'-P-C4' energy: -173.551 flat angles P-C4'-P energy: -110.457 tors. eta vs tors. theta energy: -216.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2552.001567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.001567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.001567 (E_RNA) where: Base-Base interactions energy: -1743.417 where: short stacking energy: -768.765 Base-Backbone interact. energy: -3.042 local terms energy: -805.541651 where: bonds (distance) C4'-P energy: -131.396 bonds (distance) P-C4' energy: -165.735 flat angles C4'-P-C4' energy: -177.902 flat angles P-C4'-P energy: -103.702 tors. eta vs tors. theta energy: -226.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2436.974696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.974696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.974696 (E_RNA) where: Base-Base interactions energy: -1666.761 where: short stacking energy: -730.750 Base-Backbone interact. energy: 0.738 local terms energy: -770.951941 where: bonds (distance) C4'-P energy: -143.178 bonds (distance) P-C4' energy: -140.137 flat angles C4'-P-C4' energy: -156.489 flat angles P-C4'-P energy: -113.417 tors. eta vs tors. theta energy: -217.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2164.260918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.260918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.260918 (E_RNA) where: Base-Base interactions energy: -1508.284 where: short stacking energy: -621.629 Base-Backbone interact. energy: -0.225 local terms energy: -655.751282 where: bonds (distance) C4'-P energy: -122.977 bonds (distance) P-C4' energy: -135.475 flat angles C4'-P-C4' energy: -144.292 flat angles P-C4'-P energy: -95.680 tors. eta vs tors. theta energy: -157.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2096.091972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.091972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.091972 (E_RNA) where: Base-Base interactions energy: -1407.712 where: short stacking energy: -617.505 Base-Backbone interact. energy: -1.322 local terms energy: -687.058068 where: bonds (distance) C4'-P energy: -129.249 bonds (distance) P-C4' energy: -134.360 flat angles C4'-P-C4' energy: -152.538 flat angles P-C4'-P energy: -100.356 tors. eta vs tors. theta energy: -170.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1817.860456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.860456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.860456 (E_RNA) where: Base-Base interactions energy: -1194.909 where: short stacking energy: -531.138 Base-Backbone interact. energy: 1.690 local terms energy: -624.641959 where: bonds (distance) C4'-P energy: -119.797 bonds (distance) P-C4' energy: -135.857 flat angles C4'-P-C4' energy: -135.174 flat angles P-C4'-P energy: -99.264 tors. eta vs tors. theta energy: -134.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1627.083349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.083349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.083349 (E_RNA) where: Base-Base interactions energy: -1048.429 where: short stacking energy: -452.239 Base-Backbone interact. energy: 3.834 local terms energy: -582.488091 where: bonds (distance) C4'-P energy: -116.506 bonds (distance) P-C4' energy: -159.255 flat angles C4'-P-C4' energy: -121.068 flat angles P-C4'-P energy: -81.508 tors. eta vs tors. theta energy: -104.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1429.151291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.151291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.151291 (E_RNA) where: Base-Base interactions energy: -900.367 where: short stacking energy: -425.608 Base-Backbone interact. energy: 0.421 local terms energy: -529.205654 where: bonds (distance) C4'-P energy: -117.371 bonds (distance) P-C4' energy: -130.847 flat angles C4'-P-C4' energy: -133.482 flat angles P-C4'-P energy: -68.552 tors. eta vs tors. theta energy: -78.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -841.212108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.212108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.212108 (E_RNA) where: Base-Base interactions energy: -435.034 where: short stacking energy: -232.654 Base-Backbone interact. energy: 0.854 local terms energy: -407.031956 where: bonds (distance) C4'-P energy: -113.004 bonds (distance) P-C4' energy: -99.482 flat angles C4'-P-C4' energy: -115.660 flat angles P-C4'-P energy: -66.981 tors. eta vs tors. theta energy: -11.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -742.111799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.111799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.111799 (E_RNA) where: Base-Base interactions energy: -316.006 where: short stacking energy: -212.244 Base-Backbone interact. energy: 0.368 local terms energy: -426.473802 where: bonds (distance) C4'-P energy: -129.066 bonds (distance) P-C4' energy: -139.401 flat angles C4'-P-C4' energy: -123.348 flat angles P-C4'-P energy: -38.870 tors. eta vs tors. theta energy: 4.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2618.901473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.901473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.901473 (E_RNA) where: Base-Base interactions energy: -1820.500 where: short stacking energy: -781.670 Base-Backbone interact. energy: -0.903 local terms energy: -797.498336 where: bonds (distance) C4'-P energy: -136.661 bonds (distance) P-C4' energy: -138.275 flat angles C4'-P-C4' energy: -171.255 flat angles P-C4'-P energy: -119.269 tors. eta vs tors. theta energy: -232.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2544.409348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.409348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.409348 (E_RNA) where: Base-Base interactions energy: -1739.735 where: short stacking energy: -742.767 Base-Backbone interact. energy: -1.070 local terms energy: -803.603729 where: bonds (distance) C4'-P energy: -145.543 bonds (distance) P-C4' energy: -150.521 flat angles C4'-P-C4' energy: -173.987 flat angles P-C4'-P energy: -110.372 tors. eta vs tors. theta energy: -223.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2454.182634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.182634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.182634 (E_RNA) where: Base-Base interactions energy: -1679.949 where: short stacking energy: -722.913 Base-Backbone interact. energy: -4.224 local terms energy: -770.009854 where: bonds (distance) C4'-P energy: -134.864 bonds (distance) P-C4' energy: -150.636 flat angles C4'-P-C4' energy: -159.987 flat angles P-C4'-P energy: -113.247 tors. eta vs tors. theta energy: -211.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2137.848453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.848453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.848453 (E_RNA) where: Base-Base interactions energy: -1431.316 where: short stacking energy: -638.813 Base-Backbone interact. energy: -2.499 local terms energy: -704.033408 where: bonds (distance) C4'-P energy: -137.080 bonds (distance) P-C4' energy: -143.787 flat angles C4'-P-C4' energy: -160.747 flat angles P-C4'-P energy: -85.804 tors. eta vs tors. theta energy: -176.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2099.841631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.841631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.841631 (E_RNA) where: Base-Base interactions energy: -1418.630 where: short stacking energy: -581.872 Base-Backbone interact. energy: -2.615 local terms energy: -678.597079 where: bonds (distance) C4'-P energy: -122.474 bonds (distance) P-C4' energy: -137.284 flat angles C4'-P-C4' energy: -155.307 flat angles P-C4'-P energy: -96.803 tors. eta vs tors. theta energy: -166.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1850.140942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.140942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.140942 (E_RNA) where: Base-Base interactions energy: -1236.599 where: short stacking energy: -540.387 Base-Backbone interact. energy: -0.276 local terms energy: -613.265347 where: bonds (distance) C4'-P energy: -133.150 bonds (distance) P-C4' energy: -133.667 flat angles C4'-P-C4' energy: -139.992 flat angles P-C4'-P energy: -80.074 tors. eta vs tors. theta energy: -126.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1665.773815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.773815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.773815 (E_RNA) where: Base-Base interactions energy: -1100.626 where: short stacking energy: -476.428 Base-Backbone interact. energy: -1.978 local terms energy: -563.170088 where: bonds (distance) C4'-P energy: -121.181 bonds (distance) P-C4' energy: -124.960 flat angles C4'-P-C4' energy: -135.850 flat angles P-C4'-P energy: -79.986 tors. eta vs tors. theta energy: -101.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1458.558107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.558107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.558107 (E_RNA) where: Base-Base interactions energy: -917.921 where: short stacking energy: -418.755 Base-Backbone interact. energy: 0.739 local terms energy: -541.376768 where: bonds (distance) C4'-P energy: -117.088 bonds (distance) P-C4' energy: -120.506 flat angles C4'-P-C4' energy: -127.496 flat angles P-C4'-P energy: -93.261 tors. eta vs tors. theta energy: -83.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -825.960536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.960536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.960536 (E_RNA) where: Base-Base interactions energy: -408.049 where: short stacking energy: -245.771 Base-Backbone interact. energy: 0.171 local terms energy: -418.081810 where: bonds (distance) C4'-P energy: -117.401 bonds (distance) P-C4' energy: -127.003 flat angles C4'-P-C4' energy: -118.380 flat angles P-C4'-P energy: -75.408 tors. eta vs tors. theta energy: 20.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -763.276249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.276249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.276249 (E_RNA) where: Base-Base interactions energy: -405.070 where: short stacking energy: -221.489 Base-Backbone interact. energy: 3.888 local terms energy: -362.093738 where: bonds (distance) C4'-P energy: -97.685 bonds (distance) P-C4' energy: -127.132 flat angles C4'-P-C4' energy: -94.802 flat angles P-C4'-P energy: -53.812 tors. eta vs tors. theta energy: 11.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2631.869834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.869834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.869834 (E_RNA) where: Base-Base interactions energy: -1815.915 where: short stacking energy: -767.963 Base-Backbone interact. energy: -5.202 local terms energy: -810.752149 where: bonds (distance) C4'-P energy: -138.761 bonds (distance) P-C4' energy: -158.135 flat angles C4'-P-C4' energy: -167.187 flat angles P-C4'-P energy: -120.161 tors. eta vs tors. theta energy: -226.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2532.212791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.212791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.212791 (E_RNA) where: Base-Base interactions energy: -1721.195 where: short stacking energy: -727.433 Base-Backbone interact. energy: -2.316 local terms energy: -808.701484 where: bonds (distance) C4'-P energy: -161.021 bonds (distance) P-C4' energy: -150.746 flat angles C4'-P-C4' energy: -166.567 flat angles P-C4'-P energy: -107.447 tors. eta vs tors. theta energy: -222.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2444.548959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.548959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.548959 (E_RNA) where: Base-Base interactions energy: -1676.357 where: short stacking energy: -739.678 Base-Backbone interact. energy: -1.742 local terms energy: -766.450316 where: bonds (distance) C4'-P energy: -143.423 bonds (distance) P-C4' energy: -119.534 flat angles C4'-P-C4' energy: -174.732 flat angles P-C4'-P energy: -113.368 tors. eta vs tors. theta energy: -215.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2143.072727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.072727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.072727 (E_RNA) where: Base-Base interactions energy: -1461.206 where: short stacking energy: -622.686 Base-Backbone interact. energy: -0.656 local terms energy: -681.211055 where: bonds (distance) C4'-P energy: -118.236 bonds (distance) P-C4' energy: -132.197 flat angles C4'-P-C4' energy: -157.856 flat angles P-C4'-P energy: -97.798 tors. eta vs tors. theta energy: -175.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2109.022302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.022302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.022302 (E_RNA) where: Base-Base interactions energy: -1421.317 where: short stacking energy: -634.399 Base-Backbone interact. energy: 2.555 local terms energy: -690.259749 where: bonds (distance) C4'-P energy: -132.918 bonds (distance) P-C4' energy: -124.661 flat angles C4'-P-C4' energy: -157.210 flat angles P-C4'-P energy: -101.180 tors. eta vs tors. theta energy: -174.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1872.984764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.984764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.984764 (E_RNA) where: Base-Base interactions energy: -1259.255 where: short stacking energy: -569.572 Base-Backbone interact. energy: -0.371 local terms energy: -613.357999 where: bonds (distance) C4'-P energy: -104.645 bonds (distance) P-C4' energy: -151.806 flat angles C4'-P-C4' energy: -152.807 flat angles P-C4'-P energy: -68.404 tors. eta vs tors. theta energy: -135.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1615.769251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.769251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.769251 (E_RNA) where: Base-Base interactions energy: -1028.205 where: short stacking energy: -432.543 Base-Backbone interact. energy: -0.141 local terms energy: -587.422783 where: bonds (distance) C4'-P energy: -118.167 bonds (distance) P-C4' energy: -143.066 flat angles C4'-P-C4' energy: -143.559 flat angles P-C4'-P energy: -89.514 tors. eta vs tors. theta energy: -93.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1449.321323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.321323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.321323 (E_RNA) where: Base-Base interactions energy: -910.807 where: short stacking energy: -399.239 Base-Backbone interact. energy: -2.900 local terms energy: -535.613666 where: bonds (distance) C4'-P energy: -131.411 bonds (distance) P-C4' energy: -139.044 flat angles C4'-P-C4' energy: -121.054 flat angles P-C4'-P energy: -63.638 tors. eta vs tors. theta energy: -80.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -836.211292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.211292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.211292 (E_RNA) where: Base-Base interactions energy: -419.465 where: short stacking energy: -270.221 Base-Backbone interact. energy: 0.081 local terms energy: -417.485965 where: bonds (distance) C4'-P energy: -114.919 bonds (distance) P-C4' energy: -132.368 flat angles C4'-P-C4' energy: -112.818 flat angles P-C4'-P energy: -45.747 tors. eta vs tors. theta energy: -11.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.659 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -802.506669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.506669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.506669 (E_RNA) where: Base-Base interactions energy: -402.249 where: short stacking energy: -224.292 Base-Backbone interact. energy: 5.860 local terms energy: -406.117632 where: bonds (distance) C4'-P energy: -140.677 bonds (distance) P-C4' energy: -124.439 flat angles C4'-P-C4' energy: -93.431 flat angles P-C4'-P energy: -60.339 tors. eta vs tors. theta energy: 12.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2632.810624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.810624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.810624 (E_RNA) where: Base-Base interactions energy: -1835.721 where: short stacking energy: -777.919 Base-Backbone interact. energy: -2.835 local terms energy: -794.254946 where: bonds (distance) C4'-P energy: -142.147 bonds (distance) P-C4' energy: -154.585 flat angles C4'-P-C4' energy: -162.301 flat angles P-C4'-P energy: -101.757 tors. eta vs tors. theta energy: -233.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2544.216608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.216608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.216608 (E_RNA) where: Base-Base interactions energy: -1744.709 where: short stacking energy: -726.543 Base-Backbone interact. energy: -1.715 local terms energy: -797.792692 where: bonds (distance) C4'-P energy: -148.860 bonds (distance) P-C4' energy: -153.720 flat angles C4'-P-C4' energy: -159.172 flat angles P-C4'-P energy: -119.947 tors. eta vs tors. theta energy: -216.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2444.045223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.045223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.045223 (E_RNA) where: Base-Base interactions energy: -1660.152 where: short stacking energy: -738.248 Base-Backbone interact. energy: -4.307 local terms energy: -779.737162 where: bonds (distance) C4'-P energy: -140.517 bonds (distance) P-C4' energy: -146.593 flat angles C4'-P-C4' energy: -168.611 flat angles P-C4'-P energy: -106.065 tors. eta vs tors. theta energy: -217.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.151 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2163.733667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.733667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.733667 (E_RNA) where: Base-Base interactions energy: -1429.687 where: short stacking energy: -639.846 Base-Backbone interact. energy: 0.112 local terms energy: -734.159002 where: bonds (distance) C4'-P energy: -149.945 bonds (distance) P-C4' energy: -138.151 flat angles C4'-P-C4' energy: -156.069 flat angles P-C4'-P energy: -104.006 tors. eta vs tors. theta energy: -185.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2120.187980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.187980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.187980 (E_RNA) where: Base-Base interactions energy: -1458.615 where: short stacking energy: -620.789 Base-Backbone interact. energy: -5.308 local terms energy: -656.265374 where: bonds (distance) C4'-P energy: -112.767 bonds (distance) P-C4' energy: -132.295 flat angles C4'-P-C4' energy: -132.088 flat angles P-C4'-P energy: -99.389 tors. eta vs tors. theta energy: -179.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1851.640964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.640964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.640964 (E_RNA) where: Base-Base interactions energy: -1231.425 where: short stacking energy: -527.197 Base-Backbone interact. energy: -3.427 local terms energy: -616.789084 where: bonds (distance) C4'-P energy: -120.748 bonds (distance) P-C4' energy: -121.450 flat angles C4'-P-C4' energy: -149.161 flat angles P-C4'-P energy: -93.850 tors. eta vs tors. theta energy: -131.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1523.721341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.721341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.721341 (E_RNA) where: Base-Base interactions energy: -952.222 where: short stacking energy: -417.502 Base-Backbone interact. energy: -6.264 local terms energy: -565.234941 where: bonds (distance) C4'-P energy: -125.982 bonds (distance) P-C4' energy: -124.122 flat angles C4'-P-C4' energy: -125.491 flat angles P-C4'-P energy: -85.937 tors. eta vs tors. theta energy: -103.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1444.375605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.375605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.375605 (E_RNA) where: Base-Base interactions energy: -905.342 where: short stacking energy: -427.593 Base-Backbone interact. energy: -1.747 local terms energy: -537.286582 where: bonds (distance) C4'-P energy: -132.702 bonds (distance) P-C4' energy: -138.323 flat angles C4'-P-C4' energy: -114.189 flat angles P-C4'-P energy: -73.263 tors. eta vs tors. theta energy: -78.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -806.324321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.324321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.324321 (E_RNA) where: Base-Base interactions energy: -379.145 where: short stacking energy: -217.409 Base-Backbone interact. energy: -1.236 local terms energy: -425.942896 where: bonds (distance) C4'-P energy: -108.014 bonds (distance) P-C4' energy: -129.433 flat angles C4'-P-C4' energy: -121.195 flat angles P-C4'-P energy: -71.345 tors. eta vs tors. theta energy: 4.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -839.266809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.266809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.266809 (E_RNA) where: Base-Base interactions energy: -435.212 where: short stacking energy: -274.237 Base-Backbone interact. energy: -2.728 local terms energy: -401.326936 where: bonds (distance) C4'-P energy: -118.258 bonds (distance) P-C4' energy: -123.682 flat angles C4'-P-C4' energy: -76.637 flat angles P-C4'-P energy: -66.599 tors. eta vs tors. theta energy: -16.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2626.036016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.036016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.036016 (E_RNA) where: Base-Base interactions energy: -1827.785 where: short stacking energy: -756.003 Base-Backbone interact. energy: -2.936 local terms energy: -795.315059 where: bonds (distance) C4'-P energy: -125.491 bonds (distance) P-C4' energy: -153.202 flat angles C4'-P-C4' energy: -173.758 flat angles P-C4'-P energy: -120.406 tors. eta vs tors. theta energy: -222.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2486.007257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.007257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.007257 (E_RNA) where: Base-Base interactions energy: -1680.180 where: short stacking energy: -723.209 Base-Backbone interact. energy: -1.809 local terms energy: -804.018626 where: bonds (distance) C4'-P energy: -155.881 bonds (distance) P-C4' energy: -144.203 flat angles C4'-P-C4' energy: -166.964 flat angles P-C4'-P energy: -115.483 tors. eta vs tors. theta energy: -221.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2430.953719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.953719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.953719 (E_RNA) where: Base-Base interactions energy: -1671.585 where: short stacking energy: -753.589 Base-Backbone interact. energy: -3.353 local terms energy: -756.015261 where: bonds (distance) C4'-P energy: -134.622 bonds (distance) P-C4' energy: -135.493 flat angles C4'-P-C4' energy: -157.102 flat angles P-C4'-P energy: -116.895 tors. eta vs tors. theta energy: -211.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2191.966669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.966669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.966669 (E_RNA) where: Base-Base interactions energy: -1489.415 where: short stacking energy: -659.817 Base-Backbone interact. energy: 0.614 local terms energy: -703.165700 where: bonds (distance) C4'-P energy: -121.176 bonds (distance) P-C4' energy: -142.180 flat angles C4'-P-C4' energy: -158.024 flat angles P-C4'-P energy: -103.629 tors. eta vs tors. theta energy: -178.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2101.439249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.439249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.439249 (E_RNA) where: Base-Base interactions energy: -1452.512 where: short stacking energy: -619.587 Base-Backbone interact. energy: 1.628 local terms energy: -650.555370 where: bonds (distance) C4'-P energy: -102.620 bonds (distance) P-C4' energy: -137.551 flat angles C4'-P-C4' energy: -151.551 flat angles P-C4'-P energy: -97.050 tors. eta vs tors. theta energy: -161.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1900.235554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.235554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.235554 (E_RNA) where: Base-Base interactions energy: -1281.360 where: short stacking energy: -538.143 Base-Backbone interact. energy: 1.136 local terms energy: -620.011683 where: bonds (distance) C4'-P energy: -124.384 bonds (distance) P-C4' energy: -127.322 flat angles C4'-P-C4' energy: -141.734 flat angles P-C4'-P energy: -94.840 tors. eta vs tors. theta energy: -131.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1548.142577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.142577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.142577 (E_RNA) where: Base-Base interactions energy: -965.532 where: short stacking energy: -435.553 Base-Backbone interact. energy: -2.910 local terms energy: -579.700620 where: bonds (distance) C4'-P energy: -130.294 bonds (distance) P-C4' energy: -135.693 flat angles C4'-P-C4' energy: -117.943 flat angles P-C4'-P energy: -94.194 tors. eta vs tors. theta energy: -101.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1392.836037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.836037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.836037 (E_RNA) where: Base-Base interactions energy: -868.325 where: short stacking energy: -411.697 Base-Backbone interact. energy: -2.072 local terms energy: -522.438496 where: bonds (distance) C4'-P energy: -100.190 bonds (distance) P-C4' energy: -143.016 flat angles C4'-P-C4' energy: -117.283 flat angles P-C4'-P energy: -75.420 tors. eta vs tors. theta energy: -86.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -806.643897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.643897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.643897 (E_RNA) where: Base-Base interactions energy: -373.054 where: short stacking energy: -206.594 Base-Backbone interact. energy: -1.482 local terms energy: -432.107525 where: bonds (distance) C4'-P energy: -132.228 bonds (distance) P-C4' energy: -121.947 flat angles C4'-P-C4' energy: -117.362 flat angles P-C4'-P energy: -68.091 tors. eta vs tors. theta energy: 7.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -810.913049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.913049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.913049 (E_RNA) where: Base-Base interactions energy: -400.326 where: short stacking energy: -232.691 Base-Backbone interact. energy: -2.265 local terms energy: -408.322481 where: bonds (distance) C4'-P energy: -112.124 bonds (distance) P-C4' energy: -131.024 flat angles C4'-P-C4' energy: -91.846 flat angles P-C4'-P energy: -56.743 tors. eta vs tors. theta energy: -16.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2631.576841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.576841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.576841 (E_RNA) where: Base-Base interactions energy: -1808.236 where: short stacking energy: -771.797 Base-Backbone interact. energy: 0.104 local terms energy: -823.444571 where: bonds (distance) C4'-P energy: -137.771 bonds (distance) P-C4' energy: -166.456 flat angles C4'-P-C4' energy: -173.008 flat angles P-C4'-P energy: -112.368 tors. eta vs tors. theta energy: -233.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2501.266993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.266993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.266993 (E_RNA) where: Base-Base interactions energy: -1720.970 where: short stacking energy: -726.482 Base-Backbone interact. energy: -3.730 local terms energy: -776.567097 where: bonds (distance) C4'-P energy: -151.696 bonds (distance) P-C4' energy: -143.504 flat angles C4'-P-C4' energy: -153.694 flat angles P-C4'-P energy: -106.970 tors. eta vs tors. theta energy: -220.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2456.376866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.376866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.376866 (E_RNA) where: Base-Base interactions energy: -1672.444 where: short stacking energy: -708.326 Base-Backbone interact. energy: -5.581 local terms energy: -778.418116 where: bonds (distance) C4'-P energy: -140.529 bonds (distance) P-C4' energy: -137.768 flat angles C4'-P-C4' energy: -157.778 flat angles P-C4'-P energy: -116.657 tors. eta vs tors. theta energy: -225.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.066 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2151.820522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.820522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.820522 (E_RNA) where: Base-Base interactions energy: -1461.430 where: short stacking energy: -630.868 Base-Backbone interact. energy: -1.002 local terms energy: -689.388583 where: bonds (distance) C4'-P energy: -135.482 bonds (distance) P-C4' energy: -125.981 flat angles C4'-P-C4' energy: -157.195 flat angles P-C4'-P energy: -98.465 tors. eta vs tors. theta energy: -172.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2130.140917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.140917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.140917 (E_RNA) where: Base-Base interactions energy: -1438.076 where: short stacking energy: -637.393 Base-Backbone interact. energy: -0.726 local terms energy: -691.338881 where: bonds (distance) C4'-P energy: -133.963 bonds (distance) P-C4' energy: -136.039 flat angles C4'-P-C4' energy: -150.628 flat angles P-C4'-P energy: -100.064 tors. eta vs tors. theta energy: -170.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1890.994532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.994532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.994532 (E_RNA) where: Base-Base interactions energy: -1262.071 where: short stacking energy: -557.068 Base-Backbone interact. energy: -0.254 local terms energy: -628.670008 where: bonds (distance) C4'-P energy: -128.467 bonds (distance) P-C4' energy: -117.146 flat angles C4'-P-C4' energy: -143.985 flat angles P-C4'-P energy: -98.065 tors. eta vs tors. theta energy: -141.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1577.757369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.757369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.757369 (E_RNA) where: Base-Base interactions energy: -1006.057 where: short stacking energy: -435.553 Base-Backbone interact. energy: -4.256 local terms energy: -568.893877 where: bonds (distance) C4'-P energy: -116.338 bonds (distance) P-C4' energy: -125.410 flat angles C4'-P-C4' energy: -135.134 flat angles P-C4'-P energy: -93.527 tors. eta vs tors. theta energy: -98.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.449 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1317.339644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.339644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.339644 (E_RNA) where: Base-Base interactions energy: -813.605 where: short stacking energy: -385.797 Base-Backbone interact. energy: -0.401 local terms energy: -503.333450 where: bonds (distance) C4'-P energy: -126.202 bonds (distance) P-C4' energy: -121.107 flat angles C4'-P-C4' energy: -130.912 flat angles P-C4'-P energy: -55.795 tors. eta vs tors. theta energy: -69.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -874.447060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.447060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.447060 (E_RNA) where: Base-Base interactions energy: -479.307 where: short stacking energy: -286.025 Base-Backbone interact. energy: -3.057 local terms energy: -392.082928 where: bonds (distance) C4'-P energy: -91.827 bonds (distance) P-C4' energy: -117.588 flat angles C4'-P-C4' energy: -77.037 flat angles P-C4'-P energy: -81.940 tors. eta vs tors. theta energy: -23.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -742.590483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.590483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.590483 (E_RNA) where: Base-Base interactions energy: -347.904 where: short stacking energy: -225.335 Base-Backbone interact. energy: -1.130 local terms energy: -393.556813 where: bonds (distance) C4'-P energy: -98.929 bonds (distance) P-C4' energy: -114.145 flat angles C4'-P-C4' energy: -101.239 flat angles P-C4'-P energy: -72.075 tors. eta vs tors. theta energy: -7.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2632.253817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.253817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.253817 (E_RNA) where: Base-Base interactions energy: -1829.966 where: short stacking energy: -767.579 Base-Backbone interact. energy: 1.392 local terms energy: -803.679845 where: bonds (distance) C4'-P energy: -142.021 bonds (distance) P-C4' energy: -157.999 flat angles C4'-P-C4' energy: -166.062 flat angles P-C4'-P energy: -113.463 tors. eta vs tors. theta energy: -224.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2503.148948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.148948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.148948 (E_RNA) where: Base-Base interactions energy: -1735.293 where: short stacking energy: -732.755 Base-Backbone interact. energy: -2.185 local terms energy: -765.670768 where: bonds (distance) C4'-P energy: -145.266 bonds (distance) P-C4' energy: -136.231 flat angles C4'-P-C4' energy: -168.378 flat angles P-C4'-P energy: -100.769 tors. eta vs tors. theta energy: -215.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2434.353673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.353673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.353673 (E_RNA) where: Base-Base interactions energy: -1675.737 where: short stacking energy: -699.931 Base-Backbone interact. energy: -3.055 local terms energy: -756.704277 where: bonds (distance) C4'-P energy: -142.495 bonds (distance) P-C4' energy: -140.112 flat angles C4'-P-C4' energy: -157.675 flat angles P-C4'-P energy: -105.259 tors. eta vs tors. theta energy: -211.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.143 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2198.324900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.324900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.324900 (E_RNA) where: Base-Base interactions energy: -1478.891 where: short stacking energy: -639.003 Base-Backbone interact. energy: 0.561 local terms energy: -722.178603 where: bonds (distance) C4'-P energy: -137.651 bonds (distance) P-C4' energy: -138.217 flat angles C4'-P-C4' energy: -159.345 flat angles P-C4'-P energy: -97.637 tors. eta vs tors. theta energy: -189.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.183 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2140.795611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.795611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.795611 (E_RNA) where: Base-Base interactions energy: -1422.128 where: short stacking energy: -628.412 Base-Backbone interact. energy: -1.495 local terms energy: -717.172375 where: bonds (distance) C4'-P energy: -129.990 bonds (distance) P-C4' energy: -138.752 flat angles C4'-P-C4' energy: -165.216 flat angles P-C4'-P energy: -108.499 tors. eta vs tors. theta energy: -174.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1920.271494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.271494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.271494 (E_RNA) where: Base-Base interactions energy: -1270.817 where: short stacking energy: -544.652 Base-Backbone interact. energy: -2.575 local terms energy: -646.878961 where: bonds (distance) C4'-P energy: -115.821 bonds (distance) P-C4' energy: -140.266 flat angles C4'-P-C4' energy: -147.886 flat angles P-C4'-P energy: -96.455 tors. eta vs tors. theta energy: -146.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1603.289337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.289337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.289337 (E_RNA) where: Base-Base interactions energy: -1038.977 where: short stacking energy: -465.363 Base-Backbone interact. energy: -0.574 local terms energy: -563.738464 where: bonds (distance) C4'-P energy: -110.559 bonds (distance) P-C4' energy: -119.239 flat angles C4'-P-C4' energy: -119.863 flat angles P-C4'-P energy: -93.783 tors. eta vs tors. theta energy: -120.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1354.861019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.861019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.861019 (E_RNA) where: Base-Base interactions energy: -853.982 where: short stacking energy: -398.838 Base-Backbone interact. energy: 0.458 local terms energy: -501.337175 where: bonds (distance) C4'-P energy: -99.951 bonds (distance) P-C4' energy: -102.714 flat angles C4'-P-C4' energy: -130.051 flat angles P-C4'-P energy: -80.145 tors. eta vs tors. theta energy: -88.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -877.567915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.567915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.567915 (E_RNA) where: Base-Base interactions energy: -422.726 where: short stacking energy: -254.836 Base-Backbone interact. energy: 0.016 local terms energy: -454.858726 where: bonds (distance) C4'-P energy: -127.618 bonds (distance) P-C4' energy: -123.745 flat angles C4'-P-C4' energy: -132.383 flat angles P-C4'-P energy: -55.672 tors. eta vs tors. theta energy: -15.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -723.198191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.198191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.198191 (E_RNA) where: Base-Base interactions energy: -377.937 where: short stacking energy: -214.772 Base-Backbone interact. energy: 6.435 local terms energy: -353.660935 where: bonds (distance) C4'-P energy: -101.803 bonds (distance) P-C4' energy: -122.614 flat angles C4'-P-C4' energy: -101.860 flat angles P-C4'-P energy: -46.303 tors. eta vs tors. theta energy: 18.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.965 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2618.005844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.005844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.005844 (E_RNA) where: Base-Base interactions energy: -1798.780 where: short stacking energy: -749.253 Base-Backbone interact. energy: -0.977 local terms energy: -818.248517 where: bonds (distance) C4'-P energy: -153.059 bonds (distance) P-C4' energy: -166.518 flat angles C4'-P-C4' energy: -167.429 flat angles P-C4'-P energy: -109.481 tors. eta vs tors. theta energy: -221.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2506.638351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.638351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.638351 (E_RNA) where: Base-Base interactions energy: -1738.792 where: short stacking energy: -735.475 Base-Backbone interact. energy: 0.490 local terms energy: -768.336860 where: bonds (distance) C4'-P energy: -156.152 bonds (distance) P-C4' energy: -133.078 flat angles C4'-P-C4' energy: -161.602 flat angles P-C4'-P energy: -102.481 tors. eta vs tors. theta energy: -215.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2425.039293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.039293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.039293 (E_RNA) where: Base-Base interactions energy: -1664.136 where: short stacking energy: -712.600 Base-Backbone interact. energy: -5.118 local terms energy: -755.785482 where: bonds (distance) C4'-P energy: -136.045 bonds (distance) P-C4' energy: -143.792 flat angles C4'-P-C4' energy: -162.812 flat angles P-C4'-P energy: -108.042 tors. eta vs tors. theta energy: -205.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2197.498891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.498891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.498891 (E_RNA) where: Base-Base interactions energy: -1500.856 where: short stacking energy: -628.851 Base-Backbone interact. energy: 2.614 local terms energy: -699.641626 where: bonds (distance) C4'-P energy: -126.214 bonds (distance) P-C4' energy: -139.062 flat angles C4'-P-C4' energy: -160.706 flat angles P-C4'-P energy: -98.027 tors. eta vs tors. theta energy: -175.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.385 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2150.689679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.689679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.689679 (E_RNA) where: Base-Base interactions energy: -1477.656 where: short stacking energy: -639.818 Base-Backbone interact. energy: -1.692 local terms energy: -671.341668 where: bonds (distance) C4'-P energy: -137.948 bonds (distance) P-C4' energy: -130.835 flat angles C4'-P-C4' energy: -137.400 flat angles P-C4'-P energy: -87.594 tors. eta vs tors. theta energy: -177.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1930.212399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.212399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.212399 (E_RNA) where: Base-Base interactions energy: -1291.327 where: short stacking energy: -554.776 Base-Backbone interact. energy: -4.428 local terms energy: -634.457102 where: bonds (distance) C4'-P energy: -137.546 bonds (distance) P-C4' energy: -130.788 flat angles C4'-P-C4' energy: -142.713 flat angles P-C4'-P energy: -86.589 tors. eta vs tors. theta energy: -136.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1547.480064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.480064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.480064 (E_RNA) where: Base-Base interactions energy: -1019.473 where: short stacking energy: -452.005 Base-Backbone interact. energy: -2.480 local terms energy: -525.527034 where: bonds (distance) C4'-P energy: -124.722 bonds (distance) P-C4' energy: -124.428 flat angles C4'-P-C4' energy: -114.267 flat angles P-C4'-P energy: -72.240 tors. eta vs tors. theta energy: -89.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1446.738591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.738591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.738591 (E_RNA) where: Base-Base interactions energy: -942.103 where: short stacking energy: -423.596 Base-Backbone interact. energy: -3.727 local terms energy: -500.907982 where: bonds (distance) C4'-P energy: -113.280 bonds (distance) P-C4' energy: -119.470 flat angles C4'-P-C4' energy: -117.372 flat angles P-C4'-P energy: -67.145 tors. eta vs tors. theta energy: -83.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -861.534023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.534023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.534023 (E_RNA) where: Base-Base interactions energy: -429.689 where: short stacking energy: -237.598 Base-Backbone interact. energy: -0.773 local terms energy: -431.071524 where: bonds (distance) C4'-P energy: -140.436 bonds (distance) P-C4' energy: -128.672 flat angles C4'-P-C4' energy: -103.746 flat angles P-C4'-P energy: -56.241 tors. eta vs tors. theta energy: -1.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -813.660596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.660596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.660596 (E_RNA) where: Base-Base interactions energy: -417.469 where: short stacking energy: -224.542 Base-Backbone interact. energy: -1.455 local terms energy: -394.736838 where: bonds (distance) C4'-P energy: -110.379 bonds (distance) P-C4' energy: -132.552 flat angles C4'-P-C4' energy: -96.932 flat angles P-C4'-P energy: -59.911 tors. eta vs tors. theta energy: 5.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2636.314793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.314793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.314793 (E_RNA) where: Base-Base interactions energy: -1825.023 where: short stacking energy: -768.255 Base-Backbone interact. energy: -4.031 local terms energy: -807.260098 where: bonds (distance) C4'-P energy: -146.759 bonds (distance) P-C4' energy: -155.386 flat angles C4'-P-C4' energy: -165.752 flat angles P-C4'-P energy: -114.877 tors. eta vs tors. theta energy: -224.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2462.167567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.167567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.167567 (E_RNA) where: Base-Base interactions energy: -1700.650 where: short stacking energy: -727.232 Base-Backbone interact. energy: -3.313 local terms energy: -758.205098 where: bonds (distance) C4'-P energy: -147.600 bonds (distance) P-C4' energy: -145.013 flat angles C4'-P-C4' energy: -164.148 flat angles P-C4'-P energy: -101.923 tors. eta vs tors. theta energy: -199.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2413.383551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.383551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.383551 (E_RNA) where: Base-Base interactions energy: -1645.713 where: short stacking energy: -701.590 Base-Backbone interact. energy: -2.284 local terms energy: -766.403724 where: bonds (distance) C4'-P energy: -150.485 bonds (distance) P-C4' energy: -139.535 flat angles C4'-P-C4' energy: -163.018 flat angles P-C4'-P energy: -103.111 tors. eta vs tors. theta energy: -210.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.017 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2238.097501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.097501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.097501 (E_RNA) where: Base-Base interactions energy: -1539.805 where: short stacking energy: -684.891 Base-Backbone interact. energy: -1.822 local terms energy: -696.470221 where: bonds (distance) C4'-P energy: -124.988 bonds (distance) P-C4' energy: -138.812 flat angles C4'-P-C4' energy: -154.899 flat angles P-C4'-P energy: -89.753 tors. eta vs tors. theta energy: -188.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2139.960096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.960096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.960096 (E_RNA) where: Base-Base interactions energy: -1456.351 where: short stacking energy: -644.793 Base-Backbone interact. energy: -1.696 local terms energy: -681.912528 where: bonds (distance) C4'-P energy: -151.884 bonds (distance) P-C4' energy: -121.774 flat angles C4'-P-C4' energy: -154.242 flat angles P-C4'-P energy: -84.389 tors. eta vs tors. theta energy: -169.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1943.581644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.581644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.581644 (E_RNA) where: Base-Base interactions energy: -1335.108 where: short stacking energy: -576.908 Base-Backbone interact. energy: 4.784 local terms energy: -613.257395 where: bonds (distance) C4'-P energy: -117.040 bonds (distance) P-C4' energy: -127.735 flat angles C4'-P-C4' energy: -148.134 flat angles P-C4'-P energy: -88.357 tors. eta vs tors. theta energy: -131.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1589.819314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.819314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.819314 (E_RNA) where: Base-Base interactions energy: -999.760 where: short stacking energy: -459.203 Base-Backbone interact. energy: 6.225 local terms energy: -596.283543 where: bonds (distance) C4'-P energy: -122.913 bonds (distance) P-C4' energy: -140.329 flat angles C4'-P-C4' energy: -136.396 flat angles P-C4'-P energy: -91.302 tors. eta vs tors. theta energy: -105.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1454.003847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.003847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.003847 (E_RNA) where: Base-Base interactions energy: -917.432 where: short stacking energy: -419.981 Base-Backbone interact. energy: 1.537 local terms energy: -538.109064 where: bonds (distance) C4'-P energy: -113.299 bonds (distance) P-C4' energy: -134.132 flat angles C4'-P-C4' energy: -120.389 flat angles P-C4'-P energy: -78.914 tors. eta vs tors. theta energy: -91.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -903.907664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.907664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.907664 (E_RNA) where: Base-Base interactions energy: -494.554 where: short stacking energy: -276.974 Base-Backbone interact. energy: -1.892 local terms energy: -407.461765 where: bonds (distance) C4'-P energy: -121.979 bonds (distance) P-C4' energy: -103.723 flat angles C4'-P-C4' energy: -114.208 flat angles P-C4'-P energy: -51.798 tors. eta vs tors. theta energy: -15.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -793.702458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.702458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.702458 (E_RNA) where: Base-Base interactions energy: -390.190 where: short stacking energy: -230.467 Base-Backbone interact. energy: 5.813 local terms energy: -409.325358 where: bonds (distance) C4'-P energy: -107.814 bonds (distance) P-C4' energy: -123.882 flat angles C4'-P-C4' energy: -86.613 flat angles P-C4'-P energy: -79.663 tors. eta vs tors. theta energy: -11.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2603.102848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.102848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.102848 (E_RNA) where: Base-Base interactions energy: -1823.582 where: short stacking energy: -762.370 Base-Backbone interact. energy: -1.364 local terms energy: -778.157372 where: bonds (distance) C4'-P energy: -137.472 bonds (distance) P-C4' energy: -145.502 flat angles C4'-P-C4' energy: -173.781 flat angles P-C4'-P energy: -100.482 tors. eta vs tors. theta energy: -220.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2501.798417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.798417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.798417 (E_RNA) where: Base-Base interactions energy: -1704.710 where: short stacking energy: -740.625 Base-Backbone interact. energy: -0.480 local terms energy: -796.608545 where: bonds (distance) C4'-P energy: -152.711 bonds (distance) P-C4' energy: -148.732 flat angles C4'-P-C4' energy: -162.567 flat angles P-C4'-P energy: -118.233 tors. eta vs tors. theta energy: -214.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2429.389441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.389441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.389441 (E_RNA) where: Base-Base interactions energy: -1670.350 where: short stacking energy: -736.271 Base-Backbone interact. energy: -2.368 local terms energy: -756.671011 where: bonds (distance) C4'-P energy: -124.375 bonds (distance) P-C4' energy: -145.242 flat angles C4'-P-C4' energy: -170.638 flat angles P-C4'-P energy: -109.167 tors. eta vs tors. theta energy: -207.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2240.543805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.543805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.543805 (E_RNA) where: Base-Base interactions energy: -1542.332 where: short stacking energy: -661.818 Base-Backbone interact. energy: 0.982 local terms energy: -699.193730 where: bonds (distance) C4'-P energy: -131.909 bonds (distance) P-C4' energy: -133.632 flat angles C4'-P-C4' energy: -164.133 flat angles P-C4'-P energy: -88.252 tors. eta vs tors. theta energy: -181.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2179.427301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.427301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.427301 (E_RNA) where: Base-Base interactions energy: -1457.587 where: short stacking energy: -638.935 Base-Backbone interact. energy: 3.520 local terms energy: -725.359615 where: bonds (distance) C4'-P energy: -134.685 bonds (distance) P-C4' energy: -141.601 flat angles C4'-P-C4' energy: -154.210 flat angles P-C4'-P energy: -104.359 tors. eta vs tors. theta energy: -190.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1896.320921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.320921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.320921 (E_RNA) where: Base-Base interactions energy: -1226.959 where: short stacking energy: -521.938 Base-Backbone interact. energy: -0.992 local terms energy: -668.369248 where: bonds (distance) C4'-P energy: -143.711 bonds (distance) P-C4' energy: -130.524 flat angles C4'-P-C4' energy: -165.001 flat angles P-C4'-P energy: -93.216 tors. eta vs tors. theta energy: -135.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1612.093863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.093863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.093863 (E_RNA) where: Base-Base interactions energy: -1058.455 where: short stacking energy: -487.882 Base-Backbone interact. energy: 0.725 local terms energy: -554.363744 where: bonds (distance) C4'-P energy: -120.520 bonds (distance) P-C4' energy: -144.812 flat angles C4'-P-C4' energy: -115.610 flat angles P-C4'-P energy: -73.945 tors. eta vs tors. theta energy: -99.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1478.877936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.877936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.877936 (E_RNA) where: Base-Base interactions energy: -957.950 where: short stacking energy: -416.306 Base-Backbone interact. energy: -2.436 local terms energy: -518.491835 where: bonds (distance) C4'-P energy: -116.475 bonds (distance) P-C4' energy: -125.509 flat angles C4'-P-C4' energy: -141.738 flat angles P-C4'-P energy: -62.656 tors. eta vs tors. theta energy: -72.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -861.864296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.864296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.864296 (E_RNA) where: Base-Base interactions energy: -404.978 where: short stacking energy: -236.320 Base-Backbone interact. energy: -2.741 local terms energy: -454.146059 where: bonds (distance) C4'-P energy: -129.411 bonds (distance) P-C4' energy: -133.081 flat angles C4'-P-C4' energy: -118.802 flat angles P-C4'-P energy: -56.034 tors. eta vs tors. theta energy: -16.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -705.980822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.980822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.980822 (E_RNA) where: Base-Base interactions energy: -285.376 where: short stacking energy: -185.369 Base-Backbone interact. energy: 1.535 local terms energy: -422.139265 where: bonds (distance) C4'-P energy: -126.693 bonds (distance) P-C4' energy: -131.441 flat angles C4'-P-C4' energy: -87.327 flat angles P-C4'-P energy: -82.851 tors. eta vs tors. theta energy: 6.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2639.785036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.785036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.785036 (E_RNA) where: Base-Base interactions energy: -1806.842 where: short stacking energy: -749.207 Base-Backbone interact. energy: -5.175 local terms energy: -827.767910 where: bonds (distance) C4'-P energy: -161.451 bonds (distance) P-C4' energy: -149.366 flat angles C4'-P-C4' energy: -170.451 flat angles P-C4'-P energy: -116.689 tors. eta vs tors. theta energy: -229.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2472.449336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.449336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.449336 (E_RNA) where: Base-Base interactions energy: -1697.479 where: short stacking energy: -695.291 Base-Backbone interact. energy: -2.835 local terms energy: -772.135561 where: bonds (distance) C4'-P energy: -146.940 bonds (distance) P-C4' energy: -143.664 flat angles C4'-P-C4' energy: -161.259 flat angles P-C4'-P energy: -102.857 tors. eta vs tors. theta energy: -217.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2419.365803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.365803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.365803 (E_RNA) where: Base-Base interactions energy: -1678.406 where: short stacking energy: -716.387 Base-Backbone interact. energy: -1.634 local terms energy: -739.325037 where: bonds (distance) C4'-P energy: -127.156 bonds (distance) P-C4' energy: -129.768 flat angles C4'-P-C4' energy: -158.685 flat angles P-C4'-P energy: -114.327 tors. eta vs tors. theta energy: -209.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2251.946598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.946598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.946598 (E_RNA) where: Base-Base interactions energy: -1526.532 where: short stacking energy: -668.942 Base-Backbone interact. energy: -0.702 local terms energy: -724.713013 where: bonds (distance) C4'-P energy: -129.124 bonds (distance) P-C4' energy: -152.008 flat angles C4'-P-C4' energy: -152.733 flat angles P-C4'-P energy: -104.670 tors. eta vs tors. theta energy: -186.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2156.594225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.594225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.594225 (E_RNA) where: Base-Base interactions energy: -1476.268 where: short stacking energy: -634.879 Base-Backbone interact. energy: -2.729 local terms energy: -677.597399 where: bonds (distance) C4'-P energy: -104.548 bonds (distance) P-C4' energy: -123.827 flat angles C4'-P-C4' energy: -162.740 flat angles P-C4'-P energy: -105.371 tors. eta vs tors. theta energy: -181.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1919.551388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.551388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.551388 (E_RNA) where: Base-Base interactions energy: -1302.562 where: short stacking energy: -584.637 Base-Backbone interact. energy: -2.215 local terms energy: -614.775018 where: bonds (distance) C4'-P energy: -105.179 bonds (distance) P-C4' energy: -130.823 flat angles C4'-P-C4' energy: -132.235 flat angles P-C4'-P energy: -94.618 tors. eta vs tors. theta energy: -151.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1601.010304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.010304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.010304 (E_RNA) where: Base-Base interactions energy: -1010.184 where: short stacking energy: -462.600 Base-Backbone interact. energy: 4.243 local terms energy: -595.070033 where: bonds (distance) C4'-P energy: -126.542 bonds (distance) P-C4' energy: -136.266 flat angles C4'-P-C4' energy: -141.555 flat angles P-C4'-P energy: -86.305 tors. eta vs tors. theta energy: -104.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1450.516690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.516690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.516690 (E_RNA) where: Base-Base interactions energy: -938.281 where: short stacking energy: -414.301 Base-Backbone interact. energy: 1.357 local terms energy: -513.592564 where: bonds (distance) C4'-P energy: -124.400 bonds (distance) P-C4' energy: -124.634 flat angles C4'-P-C4' energy: -132.054 flat angles P-C4'-P energy: -72.816 tors. eta vs tors. theta energy: -59.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -861.473348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.473348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.473348 (E_RNA) where: Base-Base interactions energy: -430.315 where: short stacking energy: -232.167 Base-Backbone interact. energy: 2.814 local terms energy: -433.971540 where: bonds (distance) C4'-P energy: -105.985 bonds (distance) P-C4' energy: -142.274 flat angles C4'-P-C4' energy: -109.671 flat angles P-C4'-P energy: -69.572 tors. eta vs tors. theta energy: -6.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -768.493486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.493486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.493486 (E_RNA) where: Base-Base interactions energy: -392.183 where: short stacking energy: -226.945 Base-Backbone interact. energy: -2.215 local terms energy: -374.095218 where: bonds (distance) C4'-P energy: -114.167 bonds (distance) P-C4' energy: -125.199 flat angles C4'-P-C4' energy: -118.010 flat angles P-C4'-P energy: -35.372 tors. eta vs tors. theta energy: 18.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2653.400164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.400164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.400164 (E_RNA) where: Base-Base interactions energy: -1839.266 where: short stacking energy: -766.652 Base-Backbone interact. energy: -3.198 local terms energy: -810.936227 where: bonds (distance) C4'-P energy: -140.757 bonds (distance) P-C4' energy: -150.327 flat angles C4'-P-C4' energy: -174.697 flat angles P-C4'-P energy: -112.179 tors. eta vs tors. theta energy: -232.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2459.120029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.120029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.120029 (E_RNA) where: Base-Base interactions energy: -1687.231 where: short stacking energy: -696.607 Base-Backbone interact. energy: -2.816 local terms energy: -769.073489 where: bonds (distance) C4'-P energy: -147.326 bonds (distance) P-C4' energy: -137.725 flat angles C4'-P-C4' energy: -166.637 flat angles P-C4'-P energy: -104.741 tors. eta vs tors. theta energy: -212.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2420.245351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.245351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.245351 (E_RNA) where: Base-Base interactions energy: -1649.415 where: short stacking energy: -692.684 Base-Backbone interact. energy: -0.001 local terms energy: -770.829647 where: bonds (distance) C4'-P energy: -153.314 bonds (distance) P-C4' energy: -129.702 flat angles C4'-P-C4' energy: -159.592 flat angles P-C4'-P energy: -108.475 tors. eta vs tors. theta energy: -219.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2216.493893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.493893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.493893 (E_RNA) where: Base-Base interactions energy: -1486.641 where: short stacking energy: -639.251 Base-Backbone interact. energy: -0.713 local terms energy: -729.140297 where: bonds (distance) C4'-P energy: -141.675 bonds (distance) P-C4' energy: -150.781 flat angles C4'-P-C4' energy: -155.983 flat angles P-C4'-P energy: -108.845 tors. eta vs tors. theta energy: -171.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2112.010339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.010339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.010339 (E_RNA) where: Base-Base interactions energy: -1391.125 where: short stacking energy: -637.375 Base-Backbone interact. energy: -2.115 local terms energy: -718.770289 where: bonds (distance) C4'-P energy: -132.490 bonds (distance) P-C4' energy: -137.688 flat angles C4'-P-C4' energy: -159.863 flat angles P-C4'-P energy: -109.394 tors. eta vs tors. theta energy: -179.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1896.399827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.399827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.399827 (E_RNA) where: Base-Base interactions energy: -1247.135 where: short stacking energy: -538.448 Base-Backbone interact. energy: -3.474 local terms energy: -645.791568 where: bonds (distance) C4'-P energy: -133.880 bonds (distance) P-C4' energy: -151.456 flat angles C4'-P-C4' energy: -134.223 flat angles P-C4'-P energy: -88.204 tors. eta vs tors. theta energy: -138.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1571.253999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.253999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.253999 (E_RNA) where: Base-Base interactions energy: -1008.803 where: short stacking energy: -444.229 Base-Backbone interact. energy: 1.477 local terms energy: -563.927938 where: bonds (distance) C4'-P energy: -144.649 bonds (distance) P-C4' energy: -125.495 flat angles C4'-P-C4' energy: -124.403 flat angles P-C4'-P energy: -80.548 tors. eta vs tors. theta energy: -88.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1469.198099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.198099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.198099 (E_RNA) where: Base-Base interactions energy: -950.623 where: short stacking energy: -428.944 Base-Backbone interact. energy: -2.043 local terms energy: -516.532202 where: bonds (distance) C4'-P energy: -128.531 bonds (distance) P-C4' energy: -124.119 flat angles C4'-P-C4' energy: -114.639 flat angles P-C4'-P energy: -67.586 tors. eta vs tors. theta energy: -81.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -899.152210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.152210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.152210 (E_RNA) where: Base-Base interactions energy: -467.844 where: short stacking energy: -247.666 Base-Backbone interact. energy: -4.755 local terms energy: -426.553478 where: bonds (distance) C4'-P energy: -119.002 bonds (distance) P-C4' energy: -122.076 flat angles C4'-P-C4' energy: -102.829 flat angles P-C4'-P energy: -69.208 tors. eta vs tors. theta energy: -13.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -720.447048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.447048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.447048 (E_RNA) where: Base-Base interactions energy: -342.199 where: short stacking energy: -184.592 Base-Backbone interact. energy: 3.239 local terms energy: -381.487342 where: bonds (distance) C4'-P energy: -113.099 bonds (distance) P-C4' energy: -116.570 flat angles C4'-P-C4' energy: -103.740 flat angles P-C4'-P energy: -61.379 tors. eta vs tors. theta energy: 13.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2654.383360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.383360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.383360 (E_RNA) where: Base-Base interactions energy: -1867.936 where: short stacking energy: -756.365 Base-Backbone interact. energy: -1.707 local terms energy: -784.740624 where: bonds (distance) C4'-P energy: -136.845 bonds (distance) P-C4' energy: -150.494 flat angles C4'-P-C4' energy: -167.388 flat angles P-C4'-P energy: -112.334 tors. eta vs tors. theta energy: -217.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2483.494729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.494729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.494729 (E_RNA) where: Base-Base interactions energy: -1714.265 where: short stacking energy: -707.619 Base-Backbone interact. energy: -1.633 local terms energy: -767.596312 where: bonds (distance) C4'-P energy: -121.642 bonds (distance) P-C4' energy: -145.655 flat angles C4'-P-C4' energy: -166.306 flat angles P-C4'-P energy: -109.954 tors. eta vs tors. theta energy: -224.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2461.597839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.597839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.597839 (E_RNA) where: Base-Base interactions energy: -1690.349 where: short stacking energy: -714.571 Base-Backbone interact. energy: -1.113 local terms energy: -770.135103 where: bonds (distance) C4'-P energy: -147.107 bonds (distance) P-C4' energy: -147.849 flat angles C4'-P-C4' energy: -159.492 flat angles P-C4'-P energy: -109.185 tors. eta vs tors. theta energy: -206.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2192.428633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.428633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.428633 (E_RNA) where: Base-Base interactions energy: -1497.507 where: short stacking energy: -624.049 Base-Backbone interact. energy: 0.801 local terms energy: -695.722880 where: bonds (distance) C4'-P energy: -122.260 bonds (distance) P-C4' energy: -154.946 flat angles C4'-P-C4' energy: -156.112 flat angles P-C4'-P energy: -82.532 tors. eta vs tors. theta energy: -179.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2122.747799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.747799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.747799 (E_RNA) where: Base-Base interactions energy: -1429.042 where: short stacking energy: -622.521 Base-Backbone interact. energy: -2.668 local terms energy: -691.037326 where: bonds (distance) C4'-P energy: -127.132 bonds (distance) P-C4' energy: -158.145 flat angles C4'-P-C4' energy: -147.376 flat angles P-C4'-P energy: -83.856 tors. eta vs tors. theta energy: -174.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1887.357912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.357912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.357912 (E_RNA) where: Base-Base interactions energy: -1241.460 where: short stacking energy: -533.229 Base-Backbone interact. energy: -0.766 local terms energy: -645.131719 where: bonds (distance) C4'-P energy: -126.104 bonds (distance) P-C4' energy: -141.360 flat angles C4'-P-C4' energy: -142.621 flat angles P-C4'-P energy: -93.678 tors. eta vs tors. theta energy: -141.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1598.929573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.929573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.929573 (E_RNA) where: Base-Base interactions energy: -1001.400 where: short stacking energy: -452.981 Base-Backbone interact. energy: -0.843 local terms energy: -596.686482 where: bonds (distance) C4'-P energy: -131.206 bonds (distance) P-C4' energy: -131.434 flat angles C4'-P-C4' energy: -133.743 flat angles P-C4'-P energy: -92.348 tors. eta vs tors. theta energy: -107.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1546.358343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.358343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.358343 (E_RNA) where: Base-Base interactions energy: -1010.246 where: short stacking energy: -436.678 Base-Backbone interact. energy: -0.950 local terms energy: -535.162132 where: bonds (distance) C4'-P energy: -107.595 bonds (distance) P-C4' energy: -131.306 flat angles C4'-P-C4' energy: -123.882 flat angles P-C4'-P energy: -79.849 tors. eta vs tors. theta energy: -92.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -917.804083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.804083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.804083 (E_RNA) where: Base-Base interactions energy: -476.665 where: short stacking energy: -256.318 Base-Backbone interact. energy: 1.090 local terms energy: -442.229114 where: bonds (distance) C4'-P energy: -119.912 bonds (distance) P-C4' energy: -120.007 flat angles C4'-P-C4' energy: -118.145 flat angles P-C4'-P energy: -76.580 tors. eta vs tors. theta energy: -7.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -732.031737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.031737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.031737 (E_RNA) where: Base-Base interactions energy: -361.113 where: short stacking energy: -219.004 Base-Backbone interact. energy: -1.938 local terms energy: -371.276849 where: bonds (distance) C4'-P energy: -98.803 bonds (distance) P-C4' energy: -110.587 flat angles C4'-P-C4' energy: -102.862 flat angles P-C4'-P energy: -67.280 tors. eta vs tors. theta energy: 8.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.296 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2666.362887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.362887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.362887 (E_RNA) where: Base-Base interactions energy: -1849.000 where: short stacking energy: -807.171 Base-Backbone interact. energy: -1.938 local terms energy: -815.424941 where: bonds (distance) C4'-P energy: -130.650 bonds (distance) P-C4' energy: -158.524 flat angles C4'-P-C4' energy: -167.536 flat angles P-C4'-P energy: -120.550 tors. eta vs tors. theta energy: -238.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2461.978585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.978585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.978585 (E_RNA) where: Base-Base interactions energy: -1694.403 where: short stacking energy: -716.044 Base-Backbone interact. energy: -2.592 local terms energy: -764.983743 where: bonds (distance) C4'-P energy: -147.777 bonds (distance) P-C4' energy: -140.705 flat angles C4'-P-C4' energy: -173.566 flat angles P-C4'-P energy: -104.555 tors. eta vs tors. theta energy: -198.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2440.000841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.000841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.000841 (E_RNA) where: Base-Base interactions energy: -1661.096 where: short stacking energy: -705.353 Base-Backbone interact. energy: -3.378 local terms energy: -775.526998 where: bonds (distance) C4'-P energy: -146.940 bonds (distance) P-C4' energy: -150.484 flat angles C4'-P-C4' energy: -164.605 flat angles P-C4'-P energy: -108.204 tors. eta vs tors. theta energy: -205.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2210.982868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.982868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.982868 (E_RNA) where: Base-Base interactions energy: -1528.085 where: short stacking energy: -632.786 Base-Backbone interact. energy: 3.099 local terms energy: -685.997147 where: bonds (distance) C4'-P energy: -139.553 bonds (distance) P-C4' energy: -125.918 flat angles C4'-P-C4' energy: -146.231 flat angles P-C4'-P energy: -98.271 tors. eta vs tors. theta energy: -176.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2155.125014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.125014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.125014 (E_RNA) where: Base-Base interactions energy: -1470.275 where: short stacking energy: -634.462 Base-Backbone interact. energy: 1.942 local terms energy: -686.791397 where: bonds (distance) C4'-P energy: -133.535 bonds (distance) P-C4' energy: -128.030 flat angles C4'-P-C4' energy: -152.872 flat angles P-C4'-P energy: -102.088 tors. eta vs tors. theta energy: -170.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1836.111252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.111252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.111252 (E_RNA) where: Base-Base interactions energy: -1200.747 where: short stacking energy: -534.363 Base-Backbone interact. energy: 1.952 local terms energy: -637.316020 where: bonds (distance) C4'-P energy: -107.884 bonds (distance) P-C4' energy: -145.752 flat angles C4'-P-C4' energy: -154.198 flat angles P-C4'-P energy: -77.016 tors. eta vs tors. theta energy: -152.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1543.059373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.059373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.059373 (E_RNA) where: Base-Base interactions energy: -995.080 where: short stacking energy: -441.020 Base-Backbone interact. energy: -1.775 local terms energy: -546.205210 where: bonds (distance) C4'-P energy: -118.916 bonds (distance) P-C4' energy: -98.177 flat angles C4'-P-C4' energy: -139.326 flat angles P-C4'-P energy: -87.580 tors. eta vs tors. theta energy: -102.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1526.090419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.090419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.090419 (E_RNA) where: Base-Base interactions energy: -987.245 where: short stacking energy: -428.487 Base-Backbone interact. energy: 2.468 local terms energy: -541.312770 where: bonds (distance) C4'-P energy: -109.355 bonds (distance) P-C4' energy: -129.057 flat angles C4'-P-C4' energy: -126.333 flat angles P-C4'-P energy: -76.145 tors. eta vs tors. theta energy: -100.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -908.492914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.492914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.492914 (E_RNA) where: Base-Base interactions energy: -457.269 where: short stacking energy: -237.428 Base-Backbone interact. energy: -1.154 local terms energy: -450.070013 where: bonds (distance) C4'-P energy: -116.984 bonds (distance) P-C4' energy: -135.283 flat angles C4'-P-C4' energy: -114.972 flat angles P-C4'-P energy: -65.719 tors. eta vs tors. theta energy: -17.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -763.332140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.332140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.332140 (E_RNA) where: Base-Base interactions energy: -363.896 where: short stacking energy: -237.033 Base-Backbone interact. energy: -1.442 local terms energy: -397.994171 where: bonds (distance) C4'-P energy: -88.512 bonds (distance) P-C4' energy: -137.824 flat angles C4'-P-C4' energy: -111.978 flat angles P-C4'-P energy: -64.213 tors. eta vs tors. theta energy: 4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2656.666097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.666097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.666097 (E_RNA) where: Base-Base interactions energy: -1844.077 where: short stacking energy: -766.511 Base-Backbone interact. energy: 0.656 local terms energy: -813.245172 where: bonds (distance) C4'-P energy: -159.759 bonds (distance) P-C4' energy: -158.046 flat angles C4'-P-C4' energy: -164.430 flat angles P-C4'-P energy: -103.356 tors. eta vs tors. theta energy: -227.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2521.192809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.192809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.192809 (E_RNA) where: Base-Base interactions energy: -1715.532 where: short stacking energy: -731.299 Base-Backbone interact. energy: -1.688 local terms energy: -805.593321 where: bonds (distance) C4'-P energy: -141.966 bonds (distance) P-C4' energy: -160.894 flat angles C4'-P-C4' energy: -168.973 flat angles P-C4'-P energy: -111.378 tors. eta vs tors. theta energy: -222.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.621 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2415.443940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.443940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.443940 (E_RNA) where: Base-Base interactions energy: -1666.966 where: short stacking energy: -701.111 Base-Backbone interact. energy: -1.943 local terms energy: -746.535137 where: bonds (distance) C4'-P energy: -133.993 bonds (distance) P-C4' energy: -160.222 flat angles C4'-P-C4' energy: -141.578 flat angles P-C4'-P energy: -101.497 tors. eta vs tors. theta energy: -209.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2255.099506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.099506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.099506 (E_RNA) where: Base-Base interactions energy: -1538.841 where: short stacking energy: -655.251 Base-Backbone interact. energy: 4.208 local terms energy: -720.466832 where: bonds (distance) C4'-P energy: -132.800 bonds (distance) P-C4' energy: -143.590 flat angles C4'-P-C4' energy: -158.987 flat angles P-C4'-P energy: -106.016 tors. eta vs tors. theta energy: -179.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2132.301606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.301606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.301606 (E_RNA) where: Base-Base interactions energy: -1440.077 where: short stacking energy: -604.385 Base-Backbone interact. energy: 3.408 local terms energy: -695.632640 where: bonds (distance) C4'-P energy: -115.865 bonds (distance) P-C4' energy: -146.221 flat angles C4'-P-C4' energy: -152.435 flat angles P-C4'-P energy: -110.565 tors. eta vs tors. theta energy: -170.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1860.162551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.162551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.162551 (E_RNA) where: Base-Base interactions energy: -1238.517 where: short stacking energy: -544.887 Base-Backbone interact. energy: -3.331 local terms energy: -618.315291 where: bonds (distance) C4'-P energy: -105.621 bonds (distance) P-C4' energy: -132.127 flat angles C4'-P-C4' energy: -145.504 flat angles P-C4'-P energy: -91.957 tors. eta vs tors. theta energy: -143.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1588.891922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.891922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.891922 (E_RNA) where: Base-Base interactions energy: -1022.947 where: short stacking energy: -441.671 Base-Backbone interact. energy: -1.375 local terms energy: -564.570653 where: bonds (distance) C4'-P energy: -112.534 bonds (distance) P-C4' energy: -125.147 flat angles C4'-P-C4' energy: -135.832 flat angles P-C4'-P energy: -81.820 tors. eta vs tors. theta energy: -109.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1480.925473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.925473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.925473 (E_RNA) where: Base-Base interactions energy: -968.543 where: short stacking energy: -413.304 Base-Backbone interact. energy: 6.068 local terms energy: -518.450478 where: bonds (distance) C4'-P energy: -99.372 bonds (distance) P-C4' energy: -119.958 flat angles C4'-P-C4' energy: -137.358 flat angles P-C4'-P energy: -84.522 tors. eta vs tors. theta energy: -77.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -856.267940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.267940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.267940 (E_RNA) where: Base-Base interactions energy: -417.363 where: short stacking energy: -250.486 Base-Backbone interact. energy: 4.768 local terms energy: -443.672674 where: bonds (distance) C4'-P energy: -120.672 bonds (distance) P-C4' energy: -130.547 flat angles C4'-P-C4' energy: -112.824 flat angles P-C4'-P energy: -77.228 tors. eta vs tors. theta energy: -2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -817.463384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.463384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.463384 (E_RNA) where: Base-Base interactions energy: -405.943 where: short stacking energy: -216.413 Base-Backbone interact. energy: 6.060 local terms energy: -417.580204 where: bonds (distance) C4'-P energy: -113.708 bonds (distance) P-C4' energy: -121.863 flat angles C4'-P-C4' energy: -104.645 flat angles P-C4'-P energy: -73.504 tors. eta vs tors. theta energy: -3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2643.329807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.329807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.329807 (E_RNA) where: Base-Base interactions energy: -1852.238 where: short stacking energy: -807.120 Base-Backbone interact. energy: 1.469 local terms energy: -792.560814 where: bonds (distance) C4'-P energy: -148.165 bonds (distance) P-C4' energy: -149.172 flat angles C4'-P-C4' energy: -170.018 flat angles P-C4'-P energy: -108.377 tors. eta vs tors. theta energy: -216.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2488.826608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.826608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.826608 (E_RNA) where: Base-Base interactions energy: -1668.455 where: short stacking energy: -724.744 Base-Backbone interact. energy: -3.815 local terms energy: -816.557051 where: bonds (distance) C4'-P energy: -142.504 bonds (distance) P-C4' energy: -150.037 flat angles C4'-P-C4' energy: -171.203 flat angles P-C4'-P energy: -120.803 tors. eta vs tors. theta energy: -232.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2407.012185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.012185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.012185 (E_RNA) where: Base-Base interactions energy: -1633.763 where: short stacking energy: -699.210 Base-Backbone interact. energy: -2.021 local terms energy: -771.228262 where: bonds (distance) C4'-P energy: -141.604 bonds (distance) P-C4' energy: -142.107 flat angles C4'-P-C4' energy: -159.915 flat angles P-C4'-P energy: -119.882 tors. eta vs tors. theta energy: -207.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2270.100428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.100428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.100428 (E_RNA) where: Base-Base interactions energy: -1550.360 where: short stacking energy: -688.682 Base-Backbone interact. energy: -1.081 local terms energy: -718.659355 where: bonds (distance) C4'-P energy: -132.190 bonds (distance) P-C4' energy: -135.651 flat angles C4'-P-C4' energy: -166.690 flat angles P-C4'-P energy: -98.019 tors. eta vs tors. theta energy: -186.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2121.939705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.939705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.939705 (E_RNA) where: Base-Base interactions energy: -1425.017 where: short stacking energy: -633.229 Base-Backbone interact. energy: 1.939 local terms energy: -698.861673 where: bonds (distance) C4'-P energy: -129.295 bonds (distance) P-C4' energy: -137.218 flat angles C4'-P-C4' energy: -152.214 flat angles P-C4'-P energy: -105.338 tors. eta vs tors. theta energy: -174.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1895.032823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.032823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.032823 (E_RNA) where: Base-Base interactions energy: -1266.422 where: short stacking energy: -538.476 Base-Backbone interact. energy: 1.340 local terms energy: -629.950478 where: bonds (distance) C4'-P energy: -133.314 bonds (distance) P-C4' energy: -127.527 flat angles C4'-P-C4' energy: -146.512 flat angles P-C4'-P energy: -86.355 tors. eta vs tors. theta energy: -136.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1588.915931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.915931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.915931 (E_RNA) where: Base-Base interactions energy: -1038.954 where: short stacking energy: -441.715 Base-Backbone interact. energy: 0.667 local terms energy: -550.629048 where: bonds (distance) C4'-P energy: -115.251 bonds (distance) P-C4' energy: -124.490 flat angles C4'-P-C4' energy: -142.901 flat angles P-C4'-P energy: -81.655 tors. eta vs tors. theta energy: -86.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1520.431694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.431694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.431694 (E_RNA) where: Base-Base interactions energy: -977.806 where: short stacking energy: -428.458 Base-Backbone interact. energy: 0.645 local terms energy: -543.271633 where: bonds (distance) C4'-P energy: -128.393 bonds (distance) P-C4' energy: -125.107 flat angles C4'-P-C4' energy: -110.013 flat angles P-C4'-P energy: -82.901 tors. eta vs tors. theta energy: -96.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -843.226646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.226646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.226646 (E_RNA) where: Base-Base interactions energy: -416.964 where: short stacking energy: -239.595 Base-Backbone interact. energy: 1.223 local terms energy: -427.486324 where: bonds (distance) C4'-P energy: -134.736 bonds (distance) P-C4' energy: -140.243 flat angles C4'-P-C4' energy: -104.999 flat angles P-C4'-P energy: -55.550 tors. eta vs tors. theta energy: 8.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -824.624055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.624055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.624055 (E_RNA) where: Base-Base interactions energy: -438.050 where: short stacking energy: -234.914 Base-Backbone interact. energy: 3.344 local terms energy: -389.917710 where: bonds (distance) C4'-P energy: -116.298 bonds (distance) P-C4' energy: -112.823 flat angles C4'-P-C4' energy: -92.288 flat angles P-C4'-P energy: -71.534 tors. eta vs tors. theta energy: 3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2628.284716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.284716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.284716 (E_RNA) where: Base-Base interactions energy: -1837.623 where: short stacking energy: -784.088 Base-Backbone interact. energy: -0.631 local terms energy: -790.031305 where: bonds (distance) C4'-P energy: -141.442 bonds (distance) P-C4' energy: -152.363 flat angles C4'-P-C4' energy: -166.289 flat angles P-C4'-P energy: -105.123 tors. eta vs tors. theta energy: -224.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2473.807979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.807979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.807979 (E_RNA) where: Base-Base interactions energy: -1692.647 where: short stacking energy: -764.988 Base-Backbone interact. energy: -2.270 local terms energy: -778.891586 where: bonds (distance) C4'-P energy: -132.619 bonds (distance) P-C4' energy: -141.175 flat angles C4'-P-C4' energy: -160.241 flat angles P-C4'-P energy: -124.377 tors. eta vs tors. theta energy: -220.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2397.802882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.802882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.802882 (E_RNA) where: Base-Base interactions energy: -1634.706 where: short stacking energy: -716.063 Base-Backbone interact. energy: -1.715 local terms energy: -761.382237 where: bonds (distance) C4'-P energy: -143.200 bonds (distance) P-C4' energy: -149.460 flat angles C4'-P-C4' energy: -157.762 flat angles P-C4'-P energy: -107.751 tors. eta vs tors. theta energy: -203.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2232.691506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.691506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.691506 (E_RNA) where: Base-Base interactions energy: -1532.929 where: short stacking energy: -656.198 Base-Backbone interact. energy: 1.345 local terms energy: -701.108292 where: bonds (distance) C4'-P energy: -126.727 bonds (distance) P-C4' energy: -132.503 flat angles C4'-P-C4' energy: -163.317 flat angles P-C4'-P energy: -99.582 tors. eta vs tors. theta energy: -178.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2112.768014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.768014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.768014 (E_RNA) where: Base-Base interactions energy: -1444.250 where: short stacking energy: -591.750 Base-Backbone interact. energy: -3.087 local terms energy: -665.430507 where: bonds (distance) C4'-P energy: -123.708 bonds (distance) P-C4' energy: -131.859 flat angles C4'-P-C4' energy: -152.603 flat angles P-C4'-P energy: -99.891 tors. eta vs tors. theta energy: -157.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1871.984682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.984682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.984682 (E_RNA) where: Base-Base interactions energy: -1245.880 where: short stacking energy: -563.609 Base-Backbone interact. energy: -1.650 local terms energy: -624.454991 where: bonds (distance) C4'-P energy: -147.697 bonds (distance) P-C4' energy: -132.178 flat angles C4'-P-C4' energy: -125.427 flat angles P-C4'-P energy: -76.332 tors. eta vs tors. theta energy: -142.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1542.641290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.641290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.641290 (E_RNA) where: Base-Base interactions energy: -992.410 where: short stacking energy: -448.055 Base-Backbone interact. energy: 1.894 local terms energy: -552.125398 where: bonds (distance) C4'-P energy: -104.906 bonds (distance) P-C4' energy: -133.681 flat angles C4'-P-C4' energy: -132.997 flat angles P-C4'-P energy: -85.050 tors. eta vs tors. theta energy: -95.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1496.729507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.729507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.729507 (E_RNA) where: Base-Base interactions energy: -951.605 where: short stacking energy: -421.260 Base-Backbone interact. energy: 4.807 local terms energy: -549.931819 where: bonds (distance) C4'-P energy: -116.600 bonds (distance) P-C4' energy: -133.887 flat angles C4'-P-C4' energy: -126.105 flat angles P-C4'-P energy: -88.082 tors. eta vs tors. theta energy: -85.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -884.372520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.372520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.372520 (E_RNA) where: Base-Base interactions energy: -464.954 where: short stacking energy: -252.656 Base-Backbone interact. energy: -1.984 local terms energy: -417.434483 where: bonds (distance) C4'-P energy: -106.688 bonds (distance) P-C4' energy: -136.103 flat angles C4'-P-C4' energy: -108.289 flat angles P-C4'-P energy: -46.142 tors. eta vs tors. theta energy: -20.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -780.481467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.481467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.481467 (E_RNA) where: Base-Base interactions energy: -367.611 where: short stacking energy: -178.547 Base-Backbone interact. energy: 0.380 local terms energy: -413.250389 where: bonds (distance) C4'-P energy: -107.950 bonds (distance) P-C4' energy: -121.159 flat angles C4'-P-C4' energy: -116.714 flat angles P-C4'-P energy: -75.288 tors. eta vs tors. theta energy: 7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2647.245934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.245934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.245934 (E_RNA) where: Base-Base interactions energy: -1834.628 where: short stacking energy: -761.150 Base-Backbone interact. energy: -1.337 local terms energy: -811.280746 where: bonds (distance) C4'-P energy: -139.953 bonds (distance) P-C4' energy: -151.743 flat angles C4'-P-C4' energy: -169.041 flat angles P-C4'-P energy: -110.256 tors. eta vs tors. theta energy: -240.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2533.844782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.844782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.844782 (E_RNA) where: Base-Base interactions energy: -1720.513 where: short stacking energy: -771.175 Base-Backbone interact. energy: -4.734 local terms energy: -808.596923 where: bonds (distance) C4'-P energy: -154.320 bonds (distance) P-C4' energy: -147.925 flat angles C4'-P-C4' energy: -161.946 flat angles P-C4'-P energy: -113.186 tors. eta vs tors. theta energy: -231.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2408.682645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.682645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.682645 (E_RNA) where: Base-Base interactions energy: -1650.555 where: short stacking energy: -748.233 Base-Backbone interact. energy: 0.241 local terms energy: -758.368117 where: bonds (distance) C4'-P energy: -143.485 bonds (distance) P-C4' energy: -125.959 flat angles C4'-P-C4' energy: -170.497 flat angles P-C4'-P energy: -100.368 tors. eta vs tors. theta energy: -218.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2233.461228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.461228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.461228 (E_RNA) where: Base-Base interactions energy: -1527.198 where: short stacking energy: -665.461 Base-Backbone interact. energy: 1.812 local terms energy: -708.075664 where: bonds (distance) C4'-P energy: -141.470 bonds (distance) P-C4' energy: -135.680 flat angles C4'-P-C4' energy: -159.007 flat angles P-C4'-P energy: -97.502 tors. eta vs tors. theta energy: -174.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2100.361328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.361328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.361328 (E_RNA) where: Base-Base interactions energy: -1414.045 where: short stacking energy: -619.248 Base-Backbone interact. energy: 3.830 local terms energy: -690.146692 where: bonds (distance) C4'-P energy: -124.794 bonds (distance) P-C4' energy: -125.887 flat angles C4'-P-C4' energy: -151.578 flat angles P-C4'-P energy: -101.113 tors. eta vs tors. theta energy: -186.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1893.890916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.890916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.890916 (E_RNA) where: Base-Base interactions energy: -1248.538 where: short stacking energy: -540.850 Base-Backbone interact. energy: -1.083 local terms energy: -644.270260 where: bonds (distance) C4'-P energy: -137.331 bonds (distance) P-C4' energy: -136.378 flat angles C4'-P-C4' energy: -136.738 flat angles P-C4'-P energy: -96.683 tors. eta vs tors. theta energy: -137.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1582.693723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.693723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.693723 (E_RNA) where: Base-Base interactions energy: -1022.034 where: short stacking energy: -465.316 Base-Backbone interact. energy: -2.483 local terms energy: -558.176419 where: bonds (distance) C4'-P energy: -113.083 bonds (distance) P-C4' energy: -130.015 flat angles C4'-P-C4' energy: -133.136 flat angles P-C4'-P energy: -82.498 tors. eta vs tors. theta energy: -99.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1506.836576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.836576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.836576 (E_RNA) where: Base-Base interactions energy: -957.953 where: short stacking energy: -428.626 Base-Backbone interact. energy: 8.425 local terms energy: -557.309185 where: bonds (distance) C4'-P energy: -122.615 bonds (distance) P-C4' energy: -140.964 flat angles C4'-P-C4' energy: -145.456 flat angles P-C4'-P energy: -83.205 tors. eta vs tors. theta energy: -65.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -856.011978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.011978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.011978 (E_RNA) where: Base-Base interactions energy: -439.973 where: short stacking energy: -245.199 Base-Backbone interact. energy: -4.678 local terms energy: -411.360521 where: bonds (distance) C4'-P energy: -110.996 bonds (distance) P-C4' energy: -109.944 flat angles C4'-P-C4' energy: -105.719 flat angles P-C4'-P energy: -74.942 tors. eta vs tors. theta energy: -9.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -742.169140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.169140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.169140 (E_RNA) where: Base-Base interactions energy: -339.040 where: short stacking energy: -196.331 Base-Backbone interact. energy: -2.491 local terms energy: -400.638109 where: bonds (distance) C4'-P energy: -123.308 bonds (distance) P-C4' energy: -136.094 flat angles C4'-P-C4' energy: -101.532 flat angles P-C4'-P energy: -52.277 tors. eta vs tors. theta energy: 12.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2649.310684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.310684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.310684 (E_RNA) where: Base-Base interactions energy: -1844.869 where: short stacking energy: -783.331 Base-Backbone interact. energy: -0.440 local terms energy: -804.001830 where: bonds (distance) C4'-P energy: -135.610 bonds (distance) P-C4' energy: -143.868 flat angles C4'-P-C4' energy: -175.449 flat angles P-C4'-P energy: -110.385 tors. eta vs tors. theta energy: -238.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2522.561790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.561790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.561790 (E_RNA) where: Base-Base interactions energy: -1688.156 where: short stacking energy: -754.255 Base-Backbone interact. energy: -2.152 local terms energy: -832.253101 where: bonds (distance) C4'-P energy: -155.751 bonds (distance) P-C4' energy: -160.039 flat angles C4'-P-C4' energy: -165.710 flat angles P-C4'-P energy: -117.762 tors. eta vs tors. theta energy: -232.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2360.663829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.663829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.663829 (E_RNA) where: Base-Base interactions energy: -1642.259 where: short stacking energy: -708.292 Base-Backbone interact. energy: -1.007 local terms energy: -717.397959 where: bonds (distance) C4'-P energy: -141.972 bonds (distance) P-C4' energy: -132.585 flat angles C4'-P-C4' energy: -152.186 flat angles P-C4'-P energy: -101.975 tors. eta vs tors. theta energy: -188.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2226.997566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.997566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.997566 (E_RNA) where: Base-Base interactions energy: -1515.851 where: short stacking energy: -623.439 Base-Backbone interact. energy: -3.209 local terms energy: -707.937413 where: bonds (distance) C4'-P energy: -137.240 bonds (distance) P-C4' energy: -143.935 flat angles C4'-P-C4' energy: -148.430 flat angles P-C4'-P energy: -97.658 tors. eta vs tors. theta energy: -180.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2072.152933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.152933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.152933 (E_RNA) where: Base-Base interactions energy: -1397.523 where: short stacking energy: -609.560 Base-Backbone interact. energy: 0.474 local terms energy: -675.103590 where: bonds (distance) C4'-P energy: -134.935 bonds (distance) P-C4' energy: -114.461 flat angles C4'-P-C4' energy: -148.434 flat angles P-C4'-P energy: -111.431 tors. eta vs tors. theta energy: -165.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1870.457476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.457476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.457476 (E_RNA) where: Base-Base interactions energy: -1245.502 where: short stacking energy: -546.225 Base-Backbone interact. energy: 0.724 local terms energy: -625.678891 where: bonds (distance) C4'-P energy: -131.092 bonds (distance) P-C4' energy: -124.384 flat angles C4'-P-C4' energy: -139.055 flat angles P-C4'-P energy: -96.947 tors. eta vs tors. theta energy: -134.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1666.855058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.855058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.855058 (E_RNA) where: Base-Base interactions energy: -1095.677 where: short stacking energy: -461.463 Base-Backbone interact. energy: -3.023 local terms energy: -568.155273 where: bonds (distance) C4'-P energy: -125.643 bonds (distance) P-C4' energy: -135.457 flat angles C4'-P-C4' energy: -130.395 flat angles P-C4'-P energy: -95.838 tors. eta vs tors. theta energy: -80.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1514.194037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.194037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.194037 (E_RNA) where: Base-Base interactions energy: -959.243 where: short stacking energy: -397.422 Base-Backbone interact. energy: -3.049 local terms energy: -551.902145 where: bonds (distance) C4'-P energy: -116.868 bonds (distance) P-C4' energy: -140.336 flat angles C4'-P-C4' energy: -122.582 flat angles P-C4'-P energy: -98.476 tors. eta vs tors. theta energy: -73.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -869.141104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.141104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.141104 (E_RNA) where: Base-Base interactions energy: -423.553 where: short stacking energy: -241.950 Base-Backbone interact. energy: -3.812 local terms energy: -441.775767 where: bonds (distance) C4'-P energy: -117.919 bonds (distance) P-C4' energy: -133.184 flat angles C4'-P-C4' energy: -116.098 flat angles P-C4'-P energy: -69.751 tors. eta vs tors. theta energy: -4.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -758.341381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.341381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.341381 (E_RNA) where: Base-Base interactions energy: -356.111 where: short stacking energy: -209.565 Base-Backbone interact. energy: 0.849 local terms energy: -403.079992 where: bonds (distance) C4'-P energy: -119.337 bonds (distance) P-C4' energy: -139.473 flat angles C4'-P-C4' energy: -92.625 flat angles P-C4'-P energy: -57.013 tors. eta vs tors. theta energy: 5.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2631.235129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.235129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.235129 (E_RNA) where: Base-Base interactions energy: -1852.384 where: short stacking energy: -777.693 Base-Backbone interact. energy: -1.141 local terms energy: -777.710245 where: bonds (distance) C4'-P energy: -138.518 bonds (distance) P-C4' energy: -145.626 flat angles C4'-P-C4' energy: -158.779 flat angles P-C4'-P energy: -114.015 tors. eta vs tors. theta energy: -220.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2504.100643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.100643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.100643 (E_RNA) where: Base-Base interactions energy: -1714.539 where: short stacking energy: -762.006 Base-Backbone interact. energy: 0.049 local terms energy: -789.610848 where: bonds (distance) C4'-P energy: -146.359 bonds (distance) P-C4' energy: -139.027 flat angles C4'-P-C4' energy: -167.675 flat angles P-C4'-P energy: -108.090 tors. eta vs tors. theta energy: -228.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2344.844554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.844554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.844554 (E_RNA) where: Base-Base interactions energy: -1616.338 where: short stacking energy: -706.745 Base-Backbone interact. energy: -0.629 local terms energy: -727.877674 where: bonds (distance) C4'-P energy: -131.017 bonds (distance) P-C4' energy: -135.016 flat angles C4'-P-C4' energy: -159.290 flat angles P-C4'-P energy: -97.295 tors. eta vs tors. theta energy: -205.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2211.649899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.649899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.649899 (E_RNA) where: Base-Base interactions energy: -1496.977 where: short stacking energy: -625.378 Base-Backbone interact. energy: 2.989 local terms energy: -717.660914 where: bonds (distance) C4'-P energy: -149.959 bonds (distance) P-C4' energy: -137.195 flat angles C4'-P-C4' energy: -149.452 flat angles P-C4'-P energy: -84.973 tors. eta vs tors. theta energy: -196.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2083.904368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.904368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.904368 (E_RNA) where: Base-Base interactions energy: -1430.856 where: short stacking energy: -586.312 Base-Backbone interact. energy: -3.303 local terms energy: -649.746061 where: bonds (distance) C4'-P energy: -113.810 bonds (distance) P-C4' energy: -137.355 flat angles C4'-P-C4' energy: -141.854 flat angles P-C4'-P energy: -96.210 tors. eta vs tors. theta energy: -160.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1851.748611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.748611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.748611 (E_RNA) where: Base-Base interactions energy: -1223.999 where: short stacking energy: -521.430 Base-Backbone interact. energy: -1.780 local terms energy: -625.969498 where: bonds (distance) C4'-P energy: -127.565 bonds (distance) P-C4' energy: -132.651 flat angles C4'-P-C4' energy: -147.549 flat angles P-C4'-P energy: -94.697 tors. eta vs tors. theta energy: -123.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1588.501593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.501593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.501593 (E_RNA) where: Base-Base interactions energy: -1064.600 where: short stacking energy: -473.234 Base-Backbone interact. energy: -3.479 local terms energy: -520.423468 where: bonds (distance) C4'-P energy: -112.969 bonds (distance) P-C4' energy: -116.069 flat angles C4'-P-C4' energy: -120.122 flat angles P-C4'-P energy: -85.845 tors. eta vs tors. theta energy: -85.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1584.574989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.574989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.574989 (E_RNA) where: Base-Base interactions energy: -1021.529 where: short stacking energy: -457.335 Base-Backbone interact. energy: 1.929 local terms energy: -564.974922 where: bonds (distance) C4'-P energy: -114.499 bonds (distance) P-C4' energy: -136.432 flat angles C4'-P-C4' energy: -130.195 flat angles P-C4'-P energy: -83.470 tors. eta vs tors. theta energy: -100.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -839.298502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.298502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.298502 (E_RNA) where: Base-Base interactions energy: -418.443 where: short stacking energy: -239.485 Base-Backbone interact. energy: 1.802 local terms energy: -422.657418 where: bonds (distance) C4'-P energy: -128.277 bonds (distance) P-C4' energy: -127.688 flat angles C4'-P-C4' energy: -105.443 flat angles P-C4'-P energy: -48.483 tors. eta vs tors. theta energy: -12.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -710.978537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.978537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.978537 (E_RNA) where: Base-Base interactions energy: -304.605 where: short stacking energy: -197.222 Base-Backbone interact. energy: -1.308 local terms energy: -405.065952 where: bonds (distance) C4'-P energy: -136.245 bonds (distance) P-C4' energy: -104.191 flat angles C4'-P-C4' energy: -111.645 flat angles P-C4'-P energy: -48.743 tors. eta vs tors. theta energy: -4.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2642.472993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.472993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.472993 (E_RNA) where: Base-Base interactions energy: -1861.414 where: short stacking energy: -792.058 Base-Backbone interact. energy: -2.905 local terms energy: -778.153779 where: bonds (distance) C4'-P energy: -145.540 bonds (distance) P-C4' energy: -131.498 flat angles C4'-P-C4' energy: -165.577 flat angles P-C4'-P energy: -113.829 tors. eta vs tors. theta energy: -221.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2528.224983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.224983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.224983 (E_RNA) where: Base-Base interactions energy: -1715.854 where: short stacking energy: -764.524 Base-Backbone interact. energy: -4.245 local terms energy: -808.125597 where: bonds (distance) C4'-P energy: -137.002 bonds (distance) P-C4' energy: -156.108 flat angles C4'-P-C4' energy: -162.655 flat angles P-C4'-P energy: -119.194 tors. eta vs tors. theta energy: -233.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2446.382010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.382010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.382010 (E_RNA) where: Base-Base interactions energy: -1688.095 where: short stacking energy: -716.557 Base-Backbone interact. energy: -0.009 local terms energy: -758.277780 where: bonds (distance) C4'-P energy: -140.814 bonds (distance) P-C4' energy: -139.808 flat angles C4'-P-C4' energy: -179.739 flat angles P-C4'-P energy: -101.880 tors. eta vs tors. theta energy: -196.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2264.639377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.639377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.639377 (E_RNA) where: Base-Base interactions energy: -1535.951 where: short stacking energy: -632.101 Base-Backbone interact. energy: 0.891 local terms energy: -729.578894 where: bonds (distance) C4'-P energy: -147.838 bonds (distance) P-C4' energy: -127.244 flat angles C4'-P-C4' energy: -153.293 flat angles P-C4'-P energy: -107.999 tors. eta vs tors. theta energy: -193.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2131.610718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.610718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.610718 (E_RNA) where: Base-Base interactions energy: -1475.546 where: short stacking energy: -630.343 Base-Backbone interact. energy: -2.209 local terms energy: -653.855464 where: bonds (distance) C4'-P energy: -122.596 bonds (distance) P-C4' energy: -126.423 flat angles C4'-P-C4' energy: -169.544 flat angles P-C4'-P energy: -76.794 tors. eta vs tors. theta energy: -158.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1813.277076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.277076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.277076 (E_RNA) where: Base-Base interactions energy: -1190.979 where: short stacking energy: -512.970 Base-Backbone interact. energy: -0.912 local terms energy: -621.386470 where: bonds (distance) C4'-P energy: -127.972 bonds (distance) P-C4' energy: -124.468 flat angles C4'-P-C4' energy: -152.914 flat angles P-C4'-P energy: -83.875 tors. eta vs tors. theta energy: -132.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1609.805307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.805307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.805307 (E_RNA) where: Base-Base interactions energy: -1069.450 where: short stacking energy: -451.967 Base-Backbone interact. energy: -3.477 local terms energy: -536.878590 where: bonds (distance) C4'-P energy: -116.363 bonds (distance) P-C4' energy: -142.710 flat angles C4'-P-C4' energy: -126.242 flat angles P-C4'-P energy: -71.463 tors. eta vs tors. theta energy: -80.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1566.999144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.999144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.999144 (E_RNA) where: Base-Base interactions energy: -996.373 where: short stacking energy: -452.915 Base-Backbone interact. energy: 2.426 local terms energy: -573.052574 where: bonds (distance) C4'-P energy: -121.849 bonds (distance) P-C4' energy: -126.340 flat angles C4'-P-C4' energy: -137.961 flat angles P-C4'-P energy: -81.417 tors. eta vs tors. theta energy: -105.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -853.743034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.743034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.743034 (E_RNA) where: Base-Base interactions energy: -420.795 where: short stacking energy: -255.264 Base-Backbone interact. energy: -4.460 local terms energy: -428.487772 where: bonds (distance) C4'-P energy: -135.061 bonds (distance) P-C4' energy: -135.391 flat angles C4'-P-C4' energy: -120.946 flat angles P-C4'-P energy: -36.144 tors. eta vs tors. theta energy: -0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -660.142581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.142581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.142581 (E_RNA) where: Base-Base interactions energy: -296.837 where: short stacking energy: -196.739 Base-Backbone interact. energy: 3.262 local terms energy: -366.568122 where: bonds (distance) C4'-P energy: -109.159 bonds (distance) P-C4' energy: -107.911 flat angles C4'-P-C4' energy: -98.933 flat angles P-C4'-P energy: -67.068 tors. eta vs tors. theta energy: 16.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2649.625316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.625316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.625316 (E_RNA) where: Base-Base interactions energy: -1826.951 where: short stacking energy: -745.820 Base-Backbone interact. energy: -2.813 local terms energy: -819.861618 where: bonds (distance) C4'-P energy: -152.425 bonds (distance) P-C4' energy: -157.636 flat angles C4'-P-C4' energy: -171.047 flat angles P-C4'-P energy: -115.654 tors. eta vs tors. theta energy: -223.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2522.811162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.811162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.811162 (E_RNA) where: Base-Base interactions energy: -1713.479 where: short stacking energy: -764.456 Base-Backbone interact. energy: -2.281 local terms energy: -807.050799 where: bonds (distance) C4'-P energy: -140.498 bonds (distance) P-C4' energy: -141.932 flat angles C4'-P-C4' energy: -175.277 flat angles P-C4'-P energy: -117.364 tors. eta vs tors. theta energy: -231.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2427.118034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.118034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.118034 (E_RNA) where: Base-Base interactions energy: -1671.299 where: short stacking energy: -717.563 Base-Backbone interact. energy: -4.707 local terms energy: -751.112105 where: bonds (distance) C4'-P energy: -122.257 bonds (distance) P-C4' energy: -137.266 flat angles C4'-P-C4' energy: -157.605 flat angles P-C4'-P energy: -117.779 tors. eta vs tors. theta energy: -216.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2262.646077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.646077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.646077 (E_RNA) where: Base-Base interactions energy: -1522.699 where: short stacking energy: -644.944 Base-Backbone interact. energy: -0.054 local terms energy: -739.893368 where: bonds (distance) C4'-P energy: -148.865 bonds (distance) P-C4' energy: -139.955 flat angles C4'-P-C4' energy: -160.077 flat angles P-C4'-P energy: -100.801 tors. eta vs tors. theta energy: -190.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2124.717057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.717057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.717057 (E_RNA) where: Base-Base interactions energy: -1445.647 where: short stacking energy: -603.035 Base-Backbone interact. energy: -2.564 local terms energy: -676.506870 where: bonds (distance) C4'-P energy: -127.827 bonds (distance) P-C4' energy: -147.088 flat angles C4'-P-C4' energy: -152.850 flat angles P-C4'-P energy: -92.740 tors. eta vs tors. theta energy: -156.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1932.700911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.700911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.700911 (E_RNA) where: Base-Base interactions energy: -1274.326 where: short stacking energy: -569.953 Base-Backbone interact. energy: -1.891 local terms energy: -656.483996 where: bonds (distance) C4'-P energy: -118.631 bonds (distance) P-C4' energy: -143.284 flat angles C4'-P-C4' energy: -148.487 flat angles P-C4'-P energy: -99.859 tors. eta vs tors. theta energy: -146.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1620.634578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.634578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.634578 (E_RNA) where: Base-Base interactions energy: -1055.984 where: short stacking energy: -484.765 Base-Backbone interact. energy: -0.555 local terms energy: -564.095052 where: bonds (distance) C4'-P energy: -126.831 bonds (distance) P-C4' energy: -132.166 flat angles C4'-P-C4' energy: -123.502 flat angles P-C4'-P energy: -73.849 tors. eta vs tors. theta energy: -107.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1554.240128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.240128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.240128 (E_RNA) where: Base-Base interactions energy: -1039.176 where: short stacking energy: -449.453 Base-Backbone interact. energy: -1.723 local terms energy: -513.340539 where: bonds (distance) C4'-P energy: -102.969 bonds (distance) P-C4' energy: -123.770 flat angles C4'-P-C4' energy: -124.251 flat angles P-C4'-P energy: -65.974 tors. eta vs tors. theta energy: -96.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -840.485639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.485639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.485639 (E_RNA) where: Base-Base interactions energy: -427.474 where: short stacking energy: -253.016 Base-Backbone interact. energy: -4.185 local terms energy: -408.826714 where: bonds (distance) C4'-P energy: -105.586 bonds (distance) P-C4' energy: -123.246 flat angles C4'-P-C4' energy: -107.056 flat angles P-C4'-P energy: -62.507 tors. eta vs tors. theta energy: -10.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -678.389171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.389171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.389171 (E_RNA) where: Base-Base interactions energy: -311.759 where: short stacking energy: -181.524 Base-Backbone interact. energy: 3.474 local terms energy: -370.104349 where: bonds (distance) C4'-P energy: -105.953 bonds (distance) P-C4' energy: -125.688 flat angles C4'-P-C4' energy: -117.134 flat angles P-C4'-P energy: -42.048 tors. eta vs tors. theta energy: 20.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2646.800085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.800085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.800085 (E_RNA) where: Base-Base interactions energy: -1861.532 where: short stacking energy: -772.727 Base-Backbone interact. energy: -1.328 local terms energy: -783.939720 where: bonds (distance) C4'-P energy: -147.766 bonds (distance) P-C4' energy: -130.241 flat angles C4'-P-C4' energy: -167.145 flat angles P-C4'-P energy: -109.561 tors. eta vs tors. theta energy: -229.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2482.284846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.284846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.284846 (E_RNA) where: Base-Base interactions energy: -1682.744 where: short stacking energy: -757.662 Base-Backbone interact. energy: -0.190 local terms energy: -799.350673 where: bonds (distance) C4'-P energy: -146.118 bonds (distance) P-C4' energy: -152.328 flat angles C4'-P-C4' energy: -175.514 flat angles P-C4'-P energy: -100.017 tors. eta vs tors. theta energy: -225.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2387.940218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.940218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.940218 (E_RNA) where: Base-Base interactions energy: -1634.362 where: short stacking energy: -696.867 Base-Backbone interact. energy: -2.722 local terms energy: -750.856392 where: bonds (distance) C4'-P energy: -139.944 bonds (distance) P-C4' energy: -135.143 flat angles C4'-P-C4' energy: -162.147 flat angles P-C4'-P energy: -111.228 tors. eta vs tors. theta energy: -202.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2215.612009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.612009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.612009 (E_RNA) where: Base-Base interactions energy: -1490.578 where: short stacking energy: -631.727 Base-Backbone interact. energy: -2.977 local terms energy: -722.056476 where: bonds (distance) C4'-P energy: -134.475 bonds (distance) P-C4' energy: -152.681 flat angles C4'-P-C4' energy: -163.656 flat angles P-C4'-P energy: -103.768 tors. eta vs tors. theta energy: -167.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2063.759364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.759364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.759364 (E_RNA) where: Base-Base interactions energy: -1400.180 where: short stacking energy: -591.292 Base-Backbone interact. energy: 0.231 local terms energy: -663.810023 where: bonds (distance) C4'-P energy: -125.448 bonds (distance) P-C4' energy: -135.288 flat angles C4'-P-C4' energy: -146.426 flat angles P-C4'-P energy: -97.095 tors. eta vs tors. theta energy: -159.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1926.036788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.036788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.036788 (E_RNA) where: Base-Base interactions energy: -1286.342 where: short stacking energy: -582.930 Base-Backbone interact. energy: -4.318 local terms energy: -635.377484 where: bonds (distance) C4'-P energy: -131.781 bonds (distance) P-C4' energy: -138.571 flat angles C4'-P-C4' energy: -141.355 flat angles P-C4'-P energy: -84.967 tors. eta vs tors. theta energy: -138.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1643.079417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.079417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.079417 (E_RNA) where: Base-Base interactions energy: -1042.229 where: short stacking energy: -448.687 Base-Backbone interact. energy: 4.228 local terms energy: -605.078369 where: bonds (distance) C4'-P energy: -136.312 bonds (distance) P-C4' energy: -131.325 flat angles C4'-P-C4' energy: -141.912 flat angles P-C4'-P energy: -86.694 tors. eta vs tors. theta energy: -108.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1594.535129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.535129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.535129 (E_RNA) where: Base-Base interactions energy: -1038.672 where: short stacking energy: -463.852 Base-Backbone interact. energy: -1.536 local terms energy: -554.327422 where: bonds (distance) C4'-P energy: -107.563 bonds (distance) P-C4' energy: -140.539 flat angles C4'-P-C4' energy: -135.875 flat angles P-C4'-P energy: -63.750 tors. eta vs tors. theta energy: -106.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -851.662411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.662411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.662411 (E_RNA) where: Base-Base interactions energy: -404.089 where: short stacking energy: -233.540 Base-Backbone interact. energy: -0.044 local terms energy: -447.529193 where: bonds (distance) C4'-P energy: -118.638 bonds (distance) P-C4' energy: -142.652 flat angles C4'-P-C4' energy: -127.021 flat angles P-C4'-P energy: -59.490 tors. eta vs tors. theta energy: 0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -750.737867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.737867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.737867 (E_RNA) where: Base-Base interactions energy: -364.874 where: short stacking energy: -233.320 Base-Backbone interact. energy: 1.058 local terms energy: -386.921919 where: bonds (distance) C4'-P energy: -106.936 bonds (distance) P-C4' energy: -133.290 flat angles C4'-P-C4' energy: -102.065 flat angles P-C4'-P energy: -50.897 tors. eta vs tors. theta energy: 6.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2654.358805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.358805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.358805 (E_RNA) where: Base-Base interactions energy: -1849.701 where: short stacking energy: -772.209 Base-Backbone interact. energy: -2.313 local terms energy: -802.345288 where: bonds (distance) C4'-P energy: -151.358 bonds (distance) P-C4' energy: -151.097 flat angles C4'-P-C4' energy: -163.439 flat angles P-C4'-P energy: -119.203 tors. eta vs tors. theta energy: -217.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2507.610371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.610371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.610371 (E_RNA) where: Base-Base interactions energy: -1712.275 where: short stacking energy: -735.165 Base-Backbone interact. energy: -5.779 local terms energy: -789.555977 where: bonds (distance) C4'-P energy: -138.068 bonds (distance) P-C4' energy: -144.513 flat angles C4'-P-C4' energy: -171.881 flat angles P-C4'-P energy: -113.606 tors. eta vs tors. theta energy: -221.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2384.555511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.555511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.555511 (E_RNA) where: Base-Base interactions energy: -1629.813 where: short stacking energy: -701.983 Base-Backbone interact. energy: -2.243 local terms energy: -752.499252 where: bonds (distance) C4'-P energy: -138.799 bonds (distance) P-C4' energy: -141.702 flat angles C4'-P-C4' energy: -158.634 flat angles P-C4'-P energy: -104.691 tors. eta vs tors. theta energy: -208.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2237.666999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.666999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.666999 (E_RNA) where: Base-Base interactions energy: -1504.842 where: short stacking energy: -635.931 Base-Backbone interact. energy: -5.602 local terms energy: -727.223622 where: bonds (distance) C4'-P energy: -136.223 bonds (distance) P-C4' energy: -159.014 flat angles C4'-P-C4' energy: -153.395 flat angles P-C4'-P energy: -103.676 tors. eta vs tors. theta energy: -174.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2050.332390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.332390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.332390 (E_RNA) where: Base-Base interactions energy: -1377.352 where: short stacking energy: -597.279 Base-Backbone interact. energy: -2.134 local terms energy: -670.845806 where: bonds (distance) C4'-P energy: -121.400 bonds (distance) P-C4' energy: -138.952 flat angles C4'-P-C4' energy: -158.592 flat angles P-C4'-P energy: -91.126 tors. eta vs tors. theta energy: -160.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1892.854551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.854551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.854551 (E_RNA) where: Base-Base interactions energy: -1245.629 where: short stacking energy: -563.074 Base-Backbone interact. energy: 0.636 local terms energy: -647.862016 where: bonds (distance) C4'-P energy: -127.115 bonds (distance) P-C4' energy: -134.815 flat angles C4'-P-C4' energy: -141.030 flat angles P-C4'-P energy: -94.834 tors. eta vs tors. theta energy: -150.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1697.656160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.656160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.656160 (E_RNA) where: Base-Base interactions energy: -1105.967 where: short stacking energy: -490.528 Base-Backbone interact. energy: 0.004 local terms energy: -591.693196 where: bonds (distance) C4'-P energy: -115.851 bonds (distance) P-C4' energy: -133.148 flat angles C4'-P-C4' energy: -146.222 flat angles P-C4'-P energy: -79.244 tors. eta vs tors. theta energy: -117.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1511.691251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.691251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.691251 (E_RNA) where: Base-Base interactions energy: -1001.695 where: short stacking energy: -428.410 Base-Backbone interact. energy: -2.633 local terms energy: -507.363182 where: bonds (distance) C4'-P energy: -97.467 bonds (distance) P-C4' energy: -128.587 flat angles C4'-P-C4' energy: -121.179 flat angles P-C4'-P energy: -72.370 tors. eta vs tors. theta energy: -87.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -775.807563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.807563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.807563 (E_RNA) where: Base-Base interactions energy: -367.839 where: short stacking energy: -229.827 Base-Backbone interact. energy: 0.131 local terms energy: -408.100262 where: bonds (distance) C4'-P energy: -119.393 bonds (distance) P-C4' energy: -116.920 flat angles C4'-P-C4' energy: -118.319 flat angles P-C4'-P energy: -63.500 tors. eta vs tors. theta energy: 10.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -698.773745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.773745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.773745 (E_RNA) where: Base-Base interactions energy: -289.717 where: short stacking energy: -203.116 Base-Backbone interact. energy: -3.114 local terms energy: -407.825742 where: bonds (distance) C4'-P energy: -111.262 bonds (distance) P-C4' energy: -123.693 flat angles C4'-P-C4' energy: -115.855 flat angles P-C4'-P energy: -64.074 tors. eta vs tors. theta energy: 7.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.884 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2616.523291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.523291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.523291 (E_RNA) where: Base-Base interactions energy: -1818.877 where: short stacking energy: -770.383 Base-Backbone interact. energy: -2.021 local terms energy: -795.624952 where: bonds (distance) C4'-P energy: -147.884 bonds (distance) P-C4' energy: -143.275 flat angles C4'-P-C4' energy: -165.248 flat angles P-C4'-P energy: -112.667 tors. eta vs tors. theta energy: -226.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2478.244409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.244409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.244409 (E_RNA) where: Base-Base interactions energy: -1681.004 where: short stacking energy: -725.582 Base-Backbone interact. energy: -8.828 local terms energy: -788.412714 where: bonds (distance) C4'-P energy: -126.783 bonds (distance) P-C4' energy: -163.320 flat angles C4'-P-C4' energy: -172.069 flat angles P-C4'-P energy: -113.207 tors. eta vs tors. theta energy: -213.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2413.427518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.427518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.427518 (E_RNA) where: Base-Base interactions energy: -1656.123 where: short stacking energy: -712.183 Base-Backbone interact. energy: -0.862 local terms energy: -756.442235 where: bonds (distance) C4'-P energy: -130.146 bonds (distance) P-C4' energy: -157.814 flat angles C4'-P-C4' energy: -153.028 flat angles P-C4'-P energy: -110.992 tors. eta vs tors. theta energy: -204.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2272.502195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.502195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.502195 (E_RNA) where: Base-Base interactions energy: -1568.519 where: short stacking energy: -648.085 Base-Backbone interact. energy: 0.423 local terms energy: -704.406899 where: bonds (distance) C4'-P energy: -128.021 bonds (distance) P-C4' energy: -132.113 flat angles C4'-P-C4' energy: -156.555 flat angles P-C4'-P energy: -105.709 tors. eta vs tors. theta energy: -182.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2105.308042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.308042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.308042 (E_RNA) where: Base-Base interactions energy: -1414.587 where: short stacking energy: -638.529 Base-Backbone interact. energy: -2.877 local terms energy: -687.843419 where: bonds (distance) C4'-P energy: -147.711 bonds (distance) P-C4' energy: -117.976 flat angles C4'-P-C4' energy: -163.194 flat angles P-C4'-P energy: -92.289 tors. eta vs tors. theta energy: -166.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1945.112600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.112600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.112600 (E_RNA) where: Base-Base interactions energy: -1315.452 where: short stacking energy: -574.614 Base-Backbone interact. energy: -2.581 local terms energy: -627.079377 where: bonds (distance) C4'-P energy: -119.246 bonds (distance) P-C4' energy: -141.388 flat angles C4'-P-C4' energy: -128.604 flat angles P-C4'-P energy: -81.452 tors. eta vs tors. theta energy: -156.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1696.430351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.430351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.430351 (E_RNA) where: Base-Base interactions energy: -1118.398 where: short stacking energy: -484.291 Base-Backbone interact. energy: -1.322 local terms energy: -576.709793 where: bonds (distance) C4'-P energy: -133.100 bonds (distance) P-C4' energy: -127.650 flat angles C4'-P-C4' energy: -127.306 flat angles P-C4'-P energy: -83.362 tors. eta vs tors. theta energy: -105.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1507.231087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.231087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.231087 (E_RNA) where: Base-Base interactions energy: -1006.978 where: short stacking energy: -419.282 Base-Backbone interact. energy: -8.792 local terms energy: -491.461117 where: bonds (distance) C4'-P energy: -123.758 bonds (distance) P-C4' energy: -122.597 flat angles C4'-P-C4' energy: -118.955 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: -74.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -784.245512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.245512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.245512 (E_RNA) where: Base-Base interactions energy: -365.213 where: short stacking energy: -225.031 Base-Backbone interact. energy: 0.954 local terms energy: -419.986953 where: bonds (distance) C4'-P energy: -125.289 bonds (distance) P-C4' energy: -125.276 flat angles C4'-P-C4' energy: -106.358 flat angles P-C4'-P energy: -63.633 tors. eta vs tors. theta energy: 0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -694.238342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.238342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.238342 (E_RNA) where: Base-Base interactions energy: -305.757 where: short stacking energy: -191.392 Base-Backbone interact. energy: 2.719 local terms energy: -391.200162 where: bonds (distance) C4'-P energy: -96.093 bonds (distance) P-C4' energy: -129.351 flat angles C4'-P-C4' energy: -102.356 flat angles P-C4'-P energy: -62.911 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2595.335033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.335033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.335033 (E_RNA) where: Base-Base interactions energy: -1801.479 where: short stacking energy: -754.819 Base-Backbone interact. energy: -2.569 local terms energy: -791.287160 where: bonds (distance) C4'-P energy: -152.527 bonds (distance) P-C4' energy: -140.685 flat angles C4'-P-C4' energy: -168.825 flat angles P-C4'-P energy: -107.420 tors. eta vs tors. theta energy: -221.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2541.560071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.560071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.560071 (E_RNA) where: Base-Base interactions energy: -1733.841 where: short stacking energy: -756.503 Base-Backbone interact. energy: -5.120 local terms energy: -802.599860 where: bonds (distance) C4'-P energy: -140.749 bonds (distance) P-C4' energy: -149.247 flat angles C4'-P-C4' energy: -167.402 flat angles P-C4'-P energy: -115.661 tors. eta vs tors. theta energy: -229.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2378.803479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.803479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.803479 (E_RNA) where: Base-Base interactions energy: -1627.549 where: short stacking energy: -701.721 Base-Backbone interact. energy: -2.203 local terms energy: -749.051565 where: bonds (distance) C4'-P energy: -145.396 bonds (distance) P-C4' energy: -150.034 flat angles C4'-P-C4' energy: -166.133 flat angles P-C4'-P energy: -89.728 tors. eta vs tors. theta energy: -197.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2293.177507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.177507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.177507 (E_RNA) where: Base-Base interactions energy: -1583.277 where: short stacking energy: -658.997 Base-Backbone interact. energy: -4.484 local terms energy: -705.416326 where: bonds (distance) C4'-P energy: -128.675 bonds (distance) P-C4' energy: -124.903 flat angles C4'-P-C4' energy: -162.387 flat angles P-C4'-P energy: -96.620 tors. eta vs tors. theta energy: -192.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2082.018606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.018606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.018606 (E_RNA) where: Base-Base interactions energy: -1418.326 where: short stacking energy: -594.878 Base-Backbone interact. energy: -2.871 local terms energy: -660.820736 where: bonds (distance) C4'-P energy: -121.069 bonds (distance) P-C4' energy: -135.741 flat angles C4'-P-C4' energy: -144.295 flat angles P-C4'-P energy: -84.475 tors. eta vs tors. theta energy: -175.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1928.128407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.128407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.128407 (E_RNA) where: Base-Base interactions energy: -1295.525 where: short stacking energy: -566.820 Base-Backbone interact. energy: 0.639 local terms energy: -633.242176 where: bonds (distance) C4'-P energy: -125.468 bonds (distance) P-C4' energy: -128.810 flat angles C4'-P-C4' energy: -133.672 flat angles P-C4'-P energy: -90.041 tors. eta vs tors. theta energy: -155.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1665.704430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.704430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.704430 (E_RNA) where: Base-Base interactions energy: -1056.555 where: short stacking energy: -479.436 Base-Backbone interact. energy: 1.094 local terms energy: -610.243089 where: bonds (distance) C4'-P energy: -125.365 bonds (distance) P-C4' energy: -133.591 flat angles C4'-P-C4' energy: -156.118 flat angles P-C4'-P energy: -79.751 tors. eta vs tors. theta energy: -115.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1536.197093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.197093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.197093 (E_RNA) where: Base-Base interactions energy: -981.568 where: short stacking energy: -430.608 Base-Backbone interact. energy: 1.581 local terms energy: -556.210368 where: bonds (distance) C4'-P energy: -124.334 bonds (distance) P-C4' energy: -128.175 flat angles C4'-P-C4' energy: -143.377 flat angles P-C4'-P energy: -77.150 tors. eta vs tors. theta energy: -83.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -813.289304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.289304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.289304 (E_RNA) where: Base-Base interactions energy: -411.542 where: short stacking energy: -242.805 Base-Backbone interact. energy: -1.945 local terms energy: -399.802243 where: bonds (distance) C4'-P energy: -117.054 bonds (distance) P-C4' energy: -131.342 flat angles C4'-P-C4' energy: -100.988 flat angles P-C4'-P energy: -55.130 tors. eta vs tors. theta energy: 4.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -660.288951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.288951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.288951 (E_RNA) where: Base-Base interactions energy: -316.554 where: short stacking energy: -199.138 Base-Backbone interact. energy: 6.543 local terms energy: -350.278022 where: bonds (distance) C4'-P energy: -110.592 bonds (distance) P-C4' energy: -112.830 flat angles C4'-P-C4' energy: -100.161 flat angles P-C4'-P energy: -37.364 tors. eta vs tors. theta energy: 10.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2619.143082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.143082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.143082 (E_RNA) where: Base-Base interactions energy: -1825.910 where: short stacking energy: -759.998 Base-Backbone interact. energy: -0.403 local terms energy: -792.830240 where: bonds (distance) C4'-P energy: -149.614 bonds (distance) P-C4' energy: -146.946 flat angles C4'-P-C4' energy: -166.065 flat angles P-C4'-P energy: -106.591 tors. eta vs tors. theta energy: -223.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2448.644033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.644033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.644033 (E_RNA) where: Base-Base interactions energy: -1681.828 where: short stacking energy: -702.792 Base-Backbone interact. energy: -2.608 local terms energy: -765.659673 where: bonds (distance) C4'-P energy: -136.273 bonds (distance) P-C4' energy: -147.341 flat angles C4'-P-C4' energy: -159.264 flat angles P-C4'-P energy: -120.600 tors. eta vs tors. theta energy: -202.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.451 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2370.478787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.478787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.478787 (E_RNA) where: Base-Base interactions energy: -1655.714 where: short stacking energy: -700.926 Base-Backbone interact. energy: 1.988 local terms energy: -716.752850 where: bonds (distance) C4'-P energy: -123.107 bonds (distance) P-C4' energy: -143.181 flat angles C4'-P-C4' energy: -153.081 flat angles P-C4'-P energy: -94.513 tors. eta vs tors. theta energy: -202.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2263.787597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.787597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.787597 (E_RNA) where: Base-Base interactions energy: -1576.793 where: short stacking energy: -650.656 Base-Backbone interact. energy: -2.905 local terms energy: -684.090086 where: bonds (distance) C4'-P energy: -125.258 bonds (distance) P-C4' energy: -132.811 flat angles C4'-P-C4' energy: -150.687 flat angles P-C4'-P energy: -91.062 tors. eta vs tors. theta energy: -184.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2068.012939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.012939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.012939 (E_RNA) where: Base-Base interactions energy: -1401.873 where: short stacking energy: -586.135 Base-Backbone interact. energy: 4.218 local terms energy: -670.357696 where: bonds (distance) C4'-P energy: -142.860 bonds (distance) P-C4' energy: -133.708 flat angles C4'-P-C4' energy: -135.917 flat angles P-C4'-P energy: -102.345 tors. eta vs tors. theta energy: -155.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1930.595352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.595352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.595352 (E_RNA) where: Base-Base interactions energy: -1284.545 where: short stacking energy: -556.622 Base-Backbone interact. energy: -1.489 local terms energy: -644.561541 where: bonds (distance) C4'-P energy: -136.692 bonds (distance) P-C4' energy: -134.102 flat angles C4'-P-C4' energy: -145.394 flat angles P-C4'-P energy: -87.759 tors. eta vs tors. theta energy: -140.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1705.190844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.190844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.190844 (E_RNA) where: Base-Base interactions energy: -1108.517 where: short stacking energy: -484.396 Base-Backbone interact. energy: -2.217 local terms energy: -594.457269 where: bonds (distance) C4'-P energy: -115.780 bonds (distance) P-C4' energy: -142.603 flat angles C4'-P-C4' energy: -134.141 flat angles P-C4'-P energy: -84.390 tors. eta vs tors. theta energy: -117.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1423.460058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.460058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.460058 (E_RNA) where: Base-Base interactions energy: -905.472 where: short stacking energy: -389.858 Base-Backbone interact. energy: -3.856 local terms energy: -514.131592 where: bonds (distance) C4'-P energy: -108.457 bonds (distance) P-C4' energy: -116.596 flat angles C4'-P-C4' energy: -135.945 flat angles P-C4'-P energy: -78.439 tors. eta vs tors. theta energy: -74.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -768.124401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.124401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.124401 (E_RNA) where: Base-Base interactions energy: -318.629 where: short stacking energy: -206.858 Base-Backbone interact. energy: -0.270 local terms energy: -449.225072 where: bonds (distance) C4'-P energy: -106.688 bonds (distance) P-C4' energy: -143.979 flat angles C4'-P-C4' energy: -109.396 flat angles P-C4'-P energy: -75.019 tors. eta vs tors. theta energy: -14.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -715.345418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.345418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.345418 (E_RNA) where: Base-Base interactions energy: -315.686 where: short stacking energy: -197.676 Base-Backbone interact. energy: -1.752 local terms energy: -397.908069 where: bonds (distance) C4'-P energy: -125.606 bonds (distance) P-C4' energy: -132.249 flat angles C4'-P-C4' energy: -99.654 flat angles P-C4'-P energy: -59.545 tors. eta vs tors. theta energy: 19.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2646.021477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.021477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.021477 (E_RNA) where: Base-Base interactions energy: -1856.192 where: short stacking energy: -795.887 Base-Backbone interact. energy: 0.372 local terms energy: -790.201639 where: bonds (distance) C4'-P energy: -138.802 bonds (distance) P-C4' energy: -151.539 flat angles C4'-P-C4' energy: -163.241 flat angles P-C4'-P energy: -108.562 tors. eta vs tors. theta energy: -228.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2453.858038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.858038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.858038 (E_RNA) where: Base-Base interactions energy: -1686.999 where: short stacking energy: -722.679 Base-Backbone interact. energy: -1.545 local terms energy: -765.314251 where: bonds (distance) C4'-P energy: -153.858 bonds (distance) P-C4' energy: -147.922 flat angles C4'-P-C4' energy: -159.791 flat angles P-C4'-P energy: -92.849 tors. eta vs tors. theta energy: -210.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2376.471344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.471344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.471344 (E_RNA) where: Base-Base interactions energy: -1599.787 where: short stacking energy: -691.231 Base-Backbone interact. energy: 1.257 local terms energy: -777.941378 where: bonds (distance) C4'-P energy: -148.336 bonds (distance) P-C4' energy: -166.123 flat angles C4'-P-C4' energy: -156.697 flat angles P-C4'-P energy: -106.459 tors. eta vs tors. theta energy: -200.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2289.578882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.578882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.578882 (E_RNA) where: Base-Base interactions energy: -1577.737 where: short stacking energy: -656.600 Base-Backbone interact. energy: -0.678 local terms energy: -711.164592 where: bonds (distance) C4'-P energy: -119.394 bonds (distance) P-C4' energy: -134.977 flat angles C4'-P-C4' energy: -155.984 flat angles P-C4'-P energy: -109.281 tors. eta vs tors. theta energy: -191.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2069.759641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.759641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.759641 (E_RNA) where: Base-Base interactions energy: -1435.251 where: short stacking energy: -591.026 Base-Backbone interact. energy: -0.278 local terms energy: -634.230852 where: bonds (distance) C4'-P energy: -116.786 bonds (distance) P-C4' energy: -124.696 flat angles C4'-P-C4' energy: -144.750 flat angles P-C4'-P energy: -89.030 tors. eta vs tors. theta energy: -158.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1915.293238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.293238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.293238 (E_RNA) where: Base-Base interactions energy: -1283.782 where: short stacking energy: -575.091 Base-Backbone interact. energy: -1.943 local terms energy: -629.568103 where: bonds (distance) C4'-P energy: -111.157 bonds (distance) P-C4' energy: -139.247 flat angles C4'-P-C4' energy: -137.569 flat angles P-C4'-P energy: -86.338 tors. eta vs tors. theta energy: -155.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1671.626837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.626837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.626837 (E_RNA) where: Base-Base interactions energy: -1070.548 where: short stacking energy: -477.024 Base-Backbone interact. energy: -1.283 local terms energy: -599.795857 where: bonds (distance) C4'-P energy: -138.759 bonds (distance) P-C4' energy: -140.059 flat angles C4'-P-C4' energy: -123.955 flat angles P-C4'-P energy: -85.658 tors. eta vs tors. theta energy: -111.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1491.216481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.216481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.216481 (E_RNA) where: Base-Base interactions energy: -964.131 where: short stacking energy: -414.391 Base-Backbone interact. energy: 6.553 local terms energy: -533.637787 where: bonds (distance) C4'-P energy: -130.243 bonds (distance) P-C4' energy: -109.628 flat angles C4'-P-C4' energy: -139.271 flat angles P-C4'-P energy: -68.291 tors. eta vs tors. theta energy: -86.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -749.416801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.416801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.416801 (E_RNA) where: Base-Base interactions energy: -363.680 where: short stacking energy: -215.367 Base-Backbone interact. energy: -0.274 local terms energy: -385.462875 where: bonds (distance) C4'-P energy: -119.514 bonds (distance) P-C4' energy: -119.480 flat angles C4'-P-C4' energy: -90.580 flat angles P-C4'-P energy: -64.075 tors. eta vs tors. theta energy: 8.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -648.240074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.240074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.240074 (E_RNA) where: Base-Base interactions energy: -264.416 where: short stacking energy: -195.785 Base-Backbone interact. energy: -1.346 local terms energy: -382.477732 where: bonds (distance) C4'-P energy: -112.622 bonds (distance) P-C4' energy: -117.216 flat angles C4'-P-C4' energy: -103.573 flat angles P-C4'-P energy: -60.203 tors. eta vs tors. theta energy: 11.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2681.206551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.206551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.206551 (E_RNA) where: Base-Base interactions energy: -1854.952 where: short stacking energy: -792.579 Base-Backbone interact. energy: -1.219 local terms energy: -825.035002 where: bonds (distance) C4'-P energy: -154.850 bonds (distance) P-C4' energy: -154.500 flat angles C4'-P-C4' energy: -172.505 flat angles P-C4'-P energy: -110.429 tors. eta vs tors. theta energy: -232.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2514.001223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.001223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.001223 (E_RNA) where: Base-Base interactions energy: -1722.538 where: short stacking energy: -738.576 Base-Backbone interact. energy: -6.651 local terms energy: -784.812596 where: bonds (distance) C4'-P energy: -143.840 bonds (distance) P-C4' energy: -157.903 flat angles C4'-P-C4' energy: -157.031 flat angles P-C4'-P energy: -115.763 tors. eta vs tors. theta energy: -210.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2376.183406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.183406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.183406 (E_RNA) where: Base-Base interactions energy: -1607.833 where: short stacking energy: -717.146 Base-Backbone interact. energy: -0.204 local terms energy: -768.146322 where: bonds (distance) C4'-P energy: -137.772 bonds (distance) P-C4' energy: -155.319 flat angles C4'-P-C4' energy: -153.151 flat angles P-C4'-P energy: -109.177 tors. eta vs tors. theta energy: -212.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2339.210436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.210436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.210436 (E_RNA) where: Base-Base interactions energy: -1649.065 where: short stacking energy: -673.326 Base-Backbone interact. energy: -4.917 local terms energy: -685.228305 where: bonds (distance) C4'-P energy: -123.061 bonds (distance) P-C4' energy: -132.116 flat angles C4'-P-C4' energy: -147.928 flat angles P-C4'-P energy: -98.471 tors. eta vs tors. theta energy: -183.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2051.162130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.162130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.162130 (E_RNA) where: Base-Base interactions energy: -1424.984 where: short stacking energy: -578.323 Base-Backbone interact. energy: 3.907 local terms energy: -630.084787 where: bonds (distance) C4'-P energy: -130.707 bonds (distance) P-C4' energy: -132.025 flat angles C4'-P-C4' energy: -144.643 flat angles P-C4'-P energy: -82.330 tors. eta vs tors. theta energy: -140.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1884.677054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.677054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.677054 (E_RNA) where: Base-Base interactions energy: -1255.598 where: short stacking energy: -575.175 Base-Backbone interact. energy: -1.327 local terms energy: -627.752342 where: bonds (distance) C4'-P energy: -109.529 bonds (distance) P-C4' energy: -132.615 flat angles C4'-P-C4' energy: -143.583 flat angles P-C4'-P energy: -96.799 tors. eta vs tors. theta energy: -145.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1681.806455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.806455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.806455 (E_RNA) where: Base-Base interactions energy: -1096.335 where: short stacking energy: -479.170 Base-Backbone interact. energy: 3.466 local terms energy: -588.937731 where: bonds (distance) C4'-P energy: -128.412 bonds (distance) P-C4' energy: -127.896 flat angles C4'-P-C4' energy: -129.510 flat angles P-C4'-P energy: -98.694 tors. eta vs tors. theta energy: -104.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1451.195342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.195342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.195342 (E_RNA) where: Base-Base interactions energy: -924.074 where: short stacking energy: -421.012 Base-Backbone interact. energy: -2.323 local terms energy: -524.798292 where: bonds (distance) C4'-P energy: -106.528 bonds (distance) P-C4' energy: -121.287 flat angles C4'-P-C4' energy: -137.299 flat angles P-C4'-P energy: -73.082 tors. eta vs tors. theta energy: -86.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -717.854456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.854456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.854456 (E_RNA) where: Base-Base interactions energy: -315.677 where: short stacking energy: -195.090 Base-Backbone interact. energy: 2.692 local terms energy: -404.869546 where: bonds (distance) C4'-P energy: -119.513 bonds (distance) P-C4' energy: -113.571 flat angles C4'-P-C4' energy: -121.274 flat angles P-C4'-P energy: -69.847 tors. eta vs tors. theta energy: 19.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -654.101974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.101974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.101974 (E_RNA) where: Base-Base interactions energy: -274.491 where: short stacking energy: -212.943 Base-Backbone interact. energy: -2.152 local terms energy: -377.458646 where: bonds (distance) C4'-P energy: -120.261 bonds (distance) P-C4' energy: -114.197 flat angles C4'-P-C4' energy: -100.253 flat angles P-C4'-P energy: -65.356 tors. eta vs tors. theta energy: 22.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2653.189170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.189170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.189170 (E_RNA) where: Base-Base interactions energy: -1857.193 where: short stacking energy: -756.403 Base-Backbone interact. energy: -0.033 local terms energy: -795.962886 where: bonds (distance) C4'-P energy: -151.675 bonds (distance) P-C4' energy: -154.354 flat angles C4'-P-C4' energy: -160.560 flat angles P-C4'-P energy: -104.429 tors. eta vs tors. theta energy: -224.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2457.661092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.661092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.661092 (E_RNA) where: Base-Base interactions energy: -1700.083 where: short stacking energy: -720.416 Base-Backbone interact. energy: -2.318 local terms energy: -755.259911 where: bonds (distance) C4'-P energy: -150.539 bonds (distance) P-C4' energy: -142.569 flat angles C4'-P-C4' energy: -156.854 flat angles P-C4'-P energy: -104.886 tors. eta vs tors. theta energy: -200.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2399.138851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.138851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.138851 (E_RNA) where: Base-Base interactions energy: -1629.697 where: short stacking energy: -702.736 Base-Backbone interact. energy: -0.879 local terms energy: -768.562393 where: bonds (distance) C4'-P energy: -135.854 bonds (distance) P-C4' energy: -157.801 flat angles C4'-P-C4' energy: -167.134 flat angles P-C4'-P energy: -105.807 tors. eta vs tors. theta energy: -201.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2340.402781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.402781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.402781 (E_RNA) where: Base-Base interactions energy: -1600.720 where: short stacking energy: -669.514 Base-Backbone interact. energy: -2.080 local terms energy: -737.602812 where: bonds (distance) C4'-P energy: -129.474 bonds (distance) P-C4' energy: -136.200 flat angles C4'-P-C4' energy: -157.792 flat angles P-C4'-P energy: -118.413 tors. eta vs tors. theta energy: -195.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2071.063105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.063105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.063105 (E_RNA) where: Base-Base interactions energy: -1427.261 where: short stacking energy: -632.524 Base-Backbone interact. energy: -2.698 local terms energy: -641.103980 where: bonds (distance) C4'-P energy: -117.540 bonds (distance) P-C4' energy: -140.333 flat angles C4'-P-C4' energy: -131.680 flat angles P-C4'-P energy: -85.607 tors. eta vs tors. theta energy: -165.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1892.332908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.332908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.332908 (E_RNA) where: Base-Base interactions energy: -1242.050 where: short stacking energy: -567.867 Base-Backbone interact. energy: -1.531 local terms energy: -648.752759 where: bonds (distance) C4'-P energy: -122.272 bonds (distance) P-C4' energy: -120.682 flat angles C4'-P-C4' energy: -155.232 flat angles P-C4'-P energy: -98.407 tors. eta vs tors. theta energy: -152.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1658.578273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.578273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.578273 (E_RNA) where: Base-Base interactions energy: -1109.588 where: short stacking energy: -472.390 Base-Backbone interact. energy: -0.901 local terms energy: -548.089487 where: bonds (distance) C4'-P energy: -103.591 bonds (distance) P-C4' energy: -120.112 flat angles C4'-P-C4' energy: -140.340 flat angles P-C4'-P energy: -76.160 tors. eta vs tors. theta energy: -107.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1506.458724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.458724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.458724 (E_RNA) where: Base-Base interactions energy: -975.644 where: short stacking energy: -446.183 Base-Backbone interact. energy: 0.034 local terms energy: -530.848319 where: bonds (distance) C4'-P energy: -95.979 bonds (distance) P-C4' energy: -123.697 flat angles C4'-P-C4' energy: -124.467 flat angles P-C4'-P energy: -97.391 tors. eta vs tors. theta energy: -89.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -658.436955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.436955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.436955 (E_RNA) where: Base-Base interactions energy: -227.627 where: short stacking energy: -161.004 Base-Backbone interact. energy: 2.110 local terms energy: -432.920051 where: bonds (distance) C4'-P energy: -138.603 bonds (distance) P-C4' energy: -128.488 flat angles C4'-P-C4' energy: -107.606 flat angles P-C4'-P energy: -79.899 tors. eta vs tors. theta energy: 21.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -691.370610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.370610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.370610 (E_RNA) where: Base-Base interactions energy: -323.080 where: short stacking energy: -196.929 Base-Backbone interact. energy: 5.349 local terms energy: -374.720193 where: bonds (distance) C4'-P energy: -98.609 bonds (distance) P-C4' energy: -127.054 flat angles C4'-P-C4' energy: -83.889 flat angles P-C4'-P energy: -72.931 tors. eta vs tors. theta energy: 7.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.080 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2668.485425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.485425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.485425 (E_RNA) where: Base-Base interactions energy: -1847.877 where: short stacking energy: -779.513 Base-Backbone interact. energy: -5.718 local terms energy: -814.890197 where: bonds (distance) C4'-P energy: -156.543 bonds (distance) P-C4' energy: -158.848 flat angles C4'-P-C4' energy: -170.506 flat angles P-C4'-P energy: -105.222 tors. eta vs tors. theta energy: -223.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2467.503729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.503729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.503729 (E_RNA) where: Base-Base interactions energy: -1674.127 where: short stacking energy: -738.136 Base-Backbone interact. energy: -0.980 local terms energy: -792.396902 where: bonds (distance) C4'-P energy: -149.710 bonds (distance) P-C4' energy: -147.485 flat angles C4'-P-C4' energy: -164.697 flat angles P-C4'-P energy: -114.035 tors. eta vs tors. theta energy: -216.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2404.808864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.808864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.808864 (E_RNA) where: Base-Base interactions energy: -1641.059 where: short stacking energy: -720.096 Base-Backbone interact. energy: -5.560 local terms energy: -758.189538 where: bonds (distance) C4'-P energy: -150.372 bonds (distance) P-C4' energy: -138.784 flat angles C4'-P-C4' energy: -157.230 flat angles P-C4'-P energy: -105.895 tors. eta vs tors. theta energy: -205.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2359.695955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.695955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.695955 (E_RNA) where: Base-Base interactions energy: -1631.690 where: short stacking energy: -676.416 Base-Backbone interact. energy: -3.585 local terms energy: -724.420844 where: bonds (distance) C4'-P energy: -144.425 bonds (distance) P-C4' energy: -141.047 flat angles C4'-P-C4' energy: -155.077 flat angles P-C4'-P energy: -91.033 tors. eta vs tors. theta energy: -192.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2091.492701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.492701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.492701 (E_RNA) where: Base-Base interactions energy: -1436.924 where: short stacking energy: -614.596 Base-Backbone interact. energy: -2.508 local terms energy: -652.060458 where: bonds (distance) C4'-P energy: -106.710 bonds (distance) P-C4' energy: -139.888 flat angles C4'-P-C4' energy: -144.303 flat angles P-C4'-P energy: -91.438 tors. eta vs tors. theta energy: -169.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1867.597095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.597095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.597095 (E_RNA) where: Base-Base interactions energy: -1218.516 where: short stacking energy: -537.027 Base-Backbone interact. energy: 0.898 local terms energy: -649.979100 where: bonds (distance) C4'-P energy: -141.282 bonds (distance) P-C4' energy: -153.000 flat angles C4'-P-C4' energy: -126.053 flat angles P-C4'-P energy: -89.643 tors. eta vs tors. theta energy: -140.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1683.169663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.169663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.169663 (E_RNA) where: Base-Base interactions energy: -1101.387 where: short stacking energy: -479.330 Base-Backbone interact. energy: -0.696 local terms energy: -581.086552 where: bonds (distance) C4'-P energy: -124.290 bonds (distance) P-C4' energy: -121.106 flat angles C4'-P-C4' energy: -148.384 flat angles P-C4'-P energy: -95.924 tors. eta vs tors. theta energy: -91.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1562.990477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.990477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.990477 (E_RNA) where: Base-Base interactions energy: -1013.368 where: short stacking energy: -461.416 Base-Backbone interact. energy: 1.420 local terms energy: -551.043254 where: bonds (distance) C4'-P energy: -111.559 bonds (distance) P-C4' energy: -130.547 flat angles C4'-P-C4' energy: -126.847 flat angles P-C4'-P energy: -73.384 tors. eta vs tors. theta energy: -108.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -711.722144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.722144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.722144 (E_RNA) where: Base-Base interactions energy: -312.288 where: short stacking energy: -195.907 Base-Backbone interact. energy: -5.167 local terms energy: -394.266856 where: bonds (distance) C4'-P energy: -121.062 bonds (distance) P-C4' energy: -114.523 flat angles C4'-P-C4' energy: -105.349 flat angles P-C4'-P energy: -64.292 tors. eta vs tors. theta energy: 10.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -715.331484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.331484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.331484 (E_RNA) where: Base-Base interactions energy: -309.869 where: short stacking energy: -183.784 Base-Backbone interact. energy: 6.482 local terms energy: -411.944267 where: bonds (distance) C4'-P energy: -125.089 bonds (distance) P-C4' energy: -121.050 flat angles C4'-P-C4' energy: -121.251 flat angles P-C4'-P energy: -53.198 tors. eta vs tors. theta energy: 8.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2674.992777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.992777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.992777 (E_RNA) where: Base-Base interactions energy: -1882.582 where: short stacking energy: -792.091 Base-Backbone interact. energy: -4.686 local terms energy: -787.725618 where: bonds (distance) C4'-P energy: -138.995 bonds (distance) P-C4' energy: -143.868 flat angles C4'-P-C4' energy: -165.357 flat angles P-C4'-P energy: -112.520 tors. eta vs tors. theta energy: -226.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2467.581284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.581284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.581284 (E_RNA) where: Base-Base interactions energy: -1672.491 where: short stacking energy: -728.156 Base-Backbone interact. energy: -4.092 local terms energy: -790.998009 where: bonds (distance) C4'-P energy: -132.295 bonds (distance) P-C4' energy: -147.821 flat angles C4'-P-C4' energy: -171.262 flat angles P-C4'-P energy: -123.670 tors. eta vs tors. theta energy: -215.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2394.483406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.483406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.483406 (E_RNA) where: Base-Base interactions energy: -1652.048 where: short stacking energy: -733.949 Base-Backbone interact. energy: -0.357 local terms energy: -742.738338 where: bonds (distance) C4'-P energy: -141.013 bonds (distance) P-C4' energy: -136.455 flat angles C4'-P-C4' energy: -159.080 flat angles P-C4'-P energy: -90.754 tors. eta vs tors. theta energy: -215.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.660 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2399.332975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.332975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.332975 (E_RNA) where: Base-Base interactions energy: -1655.880 where: short stacking energy: -681.331 Base-Backbone interact. energy: -4.022 local terms energy: -739.430499 where: bonds (distance) C4'-P energy: -133.464 bonds (distance) P-C4' energy: -140.561 flat angles C4'-P-C4' energy: -164.961 flat angles P-C4'-P energy: -115.800 tors. eta vs tors. theta energy: -184.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2150.399217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.399217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.399217 (E_RNA) where: Base-Base interactions energy: -1464.563 where: short stacking energy: -614.399 Base-Backbone interact. energy: -2.340 local terms energy: -683.495931 where: bonds (distance) C4'-P energy: -140.691 bonds (distance) P-C4' energy: -134.250 flat angles C4'-P-C4' energy: -152.139 flat angles P-C4'-P energy: -100.122 tors. eta vs tors. theta energy: -156.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1884.702597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.702597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.702597 (E_RNA) where: Base-Base interactions energy: -1278.306 where: short stacking energy: -561.948 Base-Backbone interact. energy: -3.940 local terms energy: -602.456446 where: bonds (distance) C4'-P energy: -107.061 bonds (distance) P-C4' energy: -125.018 flat angles C4'-P-C4' energy: -133.119 flat angles P-C4'-P energy: -108.463 tors. eta vs tors. theta energy: -128.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1708.004471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.004471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.004471 (E_RNA) where: Base-Base interactions energy: -1106.637 where: short stacking energy: -454.044 Base-Backbone interact. energy: -4.102 local terms energy: -597.265399 where: bonds (distance) C4'-P energy: -112.924 bonds (distance) P-C4' energy: -119.756 flat angles C4'-P-C4' energy: -154.135 flat angles P-C4'-P energy: -96.884 tors. eta vs tors. theta energy: -113.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1537.017138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.017138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.017138 (E_RNA) where: Base-Base interactions energy: -992.801 where: short stacking energy: -432.750 Base-Backbone interact. energy: -3.486 local terms energy: -540.730827 where: bonds (distance) C4'-P energy: -109.125 bonds (distance) P-C4' energy: -136.915 flat angles C4'-P-C4' energy: -126.415 flat angles P-C4'-P energy: -89.050 tors. eta vs tors. theta energy: -79.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -749.941505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.941505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.941505 (E_RNA) where: Base-Base interactions energy: -348.649 where: short stacking energy: -221.079 Base-Backbone interact. energy: 0.923 local terms energy: -402.215269 where: bonds (distance) C4'-P energy: -134.086 bonds (distance) P-C4' energy: -119.558 flat angles C4'-P-C4' energy: -87.807 flat angles P-C4'-P energy: -53.688 tors. eta vs tors. theta energy: -7.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -614.501957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.501957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.501957 (E_RNA) where: Base-Base interactions energy: -257.981 where: short stacking energy: -187.402 Base-Backbone interact. energy: -1.179 local terms energy: -355.342061 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -132.563 flat angles C4'-P-C4' energy: -96.906 flat angles P-C4'-P energy: -56.160 tors. eta vs tors. theta energy: 27.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2666.456148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.456148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.456148 (E_RNA) where: Base-Base interactions energy: -1844.862 where: short stacking energy: -770.331 Base-Backbone interact. energy: -1.187 local terms energy: -820.406701 where: bonds (distance) C4'-P energy: -150.235 bonds (distance) P-C4' energy: -156.806 flat angles C4'-P-C4' energy: -173.310 flat angles P-C4'-P energy: -101.784 tors. eta vs tors. theta energy: -238.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2488.452144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.452144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.452144 (E_RNA) where: Base-Base interactions energy: -1711.843 where: short stacking energy: -765.122 Base-Backbone interact. energy: -1.761 local terms energy: -774.848090 where: bonds (distance) C4'-P energy: -131.963 bonds (distance) P-C4' energy: -150.160 flat angles C4'-P-C4' energy: -169.967 flat angles P-C4'-P energy: -114.271 tors. eta vs tors. theta energy: -208.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2406.529051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.529051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.529051 (E_RNA) where: Base-Base interactions energy: -1673.005 where: short stacking energy: -705.768 Base-Backbone interact. energy: -2.133 local terms energy: -731.390967 where: bonds (distance) C4'-P energy: -123.232 bonds (distance) P-C4' energy: -132.537 flat angles C4'-P-C4' energy: -170.751 flat angles P-C4'-P energy: -115.938 tors. eta vs tors. theta energy: -188.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2382.395359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.395359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.395359 (E_RNA) where: Base-Base interactions energy: -1658.156 where: short stacking energy: -699.222 Base-Backbone interact. energy: -0.789 local terms energy: -723.593663 where: bonds (distance) C4'-P energy: -117.443 bonds (distance) P-C4' energy: -147.312 flat angles C4'-P-C4' energy: -159.150 flat angles P-C4'-P energy: -95.713 tors. eta vs tors. theta energy: -203.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.143 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2156.159968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.159968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.159968 (E_RNA) where: Base-Base interactions energy: -1469.954 where: short stacking energy: -632.936 Base-Backbone interact. energy: -2.941 local terms energy: -683.264816 where: bonds (distance) C4'-P energy: -130.578 bonds (distance) P-C4' energy: -148.769 flat angles C4'-P-C4' energy: -142.562 flat angles P-C4'-P energy: -92.226 tors. eta vs tors. theta energy: -169.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1879.193168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.193168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.193168 (E_RNA) where: Base-Base interactions energy: -1256.442 where: short stacking energy: -532.308 Base-Backbone interact. energy: -1.666 local terms energy: -621.085106 where: bonds (distance) C4'-P energy: -131.921 bonds (distance) P-C4' energy: -142.033 flat angles C4'-P-C4' energy: -130.180 flat angles P-C4'-P energy: -91.431 tors. eta vs tors. theta energy: -125.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1687.650722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.650722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.650722 (E_RNA) where: Base-Base interactions energy: -1114.622 where: short stacking energy: -474.935 Base-Backbone interact. energy: -2.532 local terms energy: -570.496460 where: bonds (distance) C4'-P energy: -132.004 bonds (distance) P-C4' energy: -132.636 flat angles C4'-P-C4' energy: -114.164 flat angles P-C4'-P energy: -86.868 tors. eta vs tors. theta energy: -104.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1500.123320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.123320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.123320 (E_RNA) where: Base-Base interactions energy: -981.381 where: short stacking energy: -430.486 Base-Backbone interact. energy: -1.356 local terms energy: -517.386611 where: bonds (distance) C4'-P energy: -113.651 bonds (distance) P-C4' energy: -120.209 flat angles C4'-P-C4' energy: -132.424 flat angles P-C4'-P energy: -61.905 tors. eta vs tors. theta energy: -89.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -788.489309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.489309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.489309 (E_RNA) where: Base-Base interactions energy: -407.526 where: short stacking energy: -235.203 Base-Backbone interact. energy: -0.732 local terms energy: -380.231806 where: bonds (distance) C4'-P energy: -92.458 bonds (distance) P-C4' energy: -136.053 flat angles C4'-P-C4' energy: -98.415 flat angles P-C4'-P energy: -57.821 tors. eta vs tors. theta energy: 4.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -608.344583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.344583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.344583 (E_RNA) where: Base-Base interactions energy: -226.298 where: short stacking energy: -168.816 Base-Backbone interact. energy: -1.981 local terms energy: -380.066045 where: bonds (distance) C4'-P energy: -141.189 bonds (distance) P-C4' energy: -109.176 flat angles C4'-P-C4' energy: -97.883 flat angles P-C4'-P energy: -47.482 tors. eta vs tors. theta energy: 15.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2665.996865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.996865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.996865 (E_RNA) where: Base-Base interactions energy: -1852.897 where: short stacking energy: -764.313 Base-Backbone interact. energy: 0.358 local terms energy: -813.457944 where: bonds (distance) C4'-P energy: -143.859 bonds (distance) P-C4' energy: -151.406 flat angles C4'-P-C4' energy: -170.483 flat angles P-C4'-P energy: -120.958 tors. eta vs tors. theta energy: -226.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2491.760191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.760191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.760191 (E_RNA) where: Base-Base interactions energy: -1733.333 where: short stacking energy: -748.694 Base-Backbone interact. energy: -0.506 local terms energy: -757.921354 where: bonds (distance) C4'-P energy: -135.724 bonds (distance) P-C4' energy: -147.444 flat angles C4'-P-C4' energy: -176.567 flat angles P-C4'-P energy: -86.574 tors. eta vs tors. theta energy: -211.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2430.391598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.391598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.391598 (E_RNA) where: Base-Base interactions energy: -1661.089 where: short stacking energy: -725.849 Base-Backbone interact. energy: 4.365 local terms energy: -774.469703 where: bonds (distance) C4'-P energy: -151.718 bonds (distance) P-C4' energy: -151.980 flat angles C4'-P-C4' energy: -155.228 flat angles P-C4'-P energy: -102.777 tors. eta vs tors. theta energy: -212.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.802 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2382.529252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.529252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.529252 (E_RNA) where: Base-Base interactions energy: -1671.099 where: short stacking energy: -694.904 Base-Backbone interact. energy: 1.441 local terms energy: -712.871513 where: bonds (distance) C4'-P energy: -141.448 bonds (distance) P-C4' energy: -132.203 flat angles C4'-P-C4' energy: -160.231 flat angles P-C4'-P energy: -97.338 tors. eta vs tors. theta energy: -181.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2113.643125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.643125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.643125 (E_RNA) where: Base-Base interactions energy: -1421.347 where: short stacking energy: -609.705 Base-Backbone interact. energy: -4.685 local terms energy: -687.611310 where: bonds (distance) C4'-P energy: -140.756 bonds (distance) P-C4' energy: -140.919 flat angles C4'-P-C4' energy: -150.147 flat angles P-C4'-P energy: -91.205 tors. eta vs tors. theta energy: -164.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1901.644710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.644710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.644710 (E_RNA) where: Base-Base interactions energy: -1275.939 where: short stacking energy: -574.707 Base-Backbone interact. energy: 2.753 local terms energy: -628.459066 where: bonds (distance) C4'-P energy: -119.753 bonds (distance) P-C4' energy: -116.431 flat angles C4'-P-C4' energy: -133.506 flat angles P-C4'-P energy: -98.744 tors. eta vs tors. theta energy: -160.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1808.668330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.668330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.668330 (E_RNA) where: Base-Base interactions energy: -1209.887 where: short stacking energy: -523.790 Base-Backbone interact. energy: 2.370 local terms energy: -601.151430 where: bonds (distance) C4'-P energy: -126.693 bonds (distance) P-C4' energy: -126.895 flat angles C4'-P-C4' energy: -134.352 flat angles P-C4'-P energy: -86.513 tors. eta vs tors. theta energy: -126.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1397.869218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.869218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.869218 (E_RNA) where: Base-Base interactions energy: -868.807 where: short stacking energy: -383.206 Base-Backbone interact. energy: 1.823 local terms energy: -530.884991 where: bonds (distance) C4'-P energy: -131.973 bonds (distance) P-C4' energy: -133.766 flat angles C4'-P-C4' energy: -116.902 flat angles P-C4'-P energy: -64.897 tors. eta vs tors. theta energy: -83.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -844.901190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.901190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.901190 (E_RNA) where: Base-Base interactions energy: -443.081 where: short stacking energy: -253.058 Base-Backbone interact. energy: 0.025 local terms energy: -401.844874 where: bonds (distance) C4'-P energy: -119.111 bonds (distance) P-C4' energy: -123.044 flat angles C4'-P-C4' energy: -107.892 flat angles P-C4'-P energy: -46.695 tors. eta vs tors. theta energy: -5.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -610.995415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.995415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.995415 (E_RNA) where: Base-Base interactions energy: -230.506 where: short stacking energy: -154.081 Base-Backbone interact. energy: -2.791 local terms energy: -377.698542 where: bonds (distance) C4'-P energy: -111.924 bonds (distance) P-C4' energy: -127.806 flat angles C4'-P-C4' energy: -92.166 flat angles P-C4'-P energy: -75.036 tors. eta vs tors. theta energy: 29.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2683.100539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.100539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.100539 (E_RNA) where: Base-Base interactions energy: -1867.966 where: short stacking energy: -763.206 Base-Backbone interact. energy: -2.997 local terms energy: -812.136849 where: bonds (distance) C4'-P energy: -155.232 bonds (distance) P-C4' energy: -147.334 flat angles C4'-P-C4' energy: -174.252 flat angles P-C4'-P energy: -111.935 tors. eta vs tors. theta energy: -223.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2473.526158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.526158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.526158 (E_RNA) where: Base-Base interactions energy: -1683.531 where: short stacking energy: -738.867 Base-Backbone interact. energy: -1.604 local terms energy: -788.391868 where: bonds (distance) C4'-P energy: -149.107 bonds (distance) P-C4' energy: -133.947 flat angles C4'-P-C4' energy: -172.060 flat angles P-C4'-P energy: -123.083 tors. eta vs tors. theta energy: -210.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2435.072542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.072542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.072542 (E_RNA) where: Base-Base interactions energy: -1672.298 where: short stacking energy: -703.144 Base-Backbone interact. energy: -0.311 local terms energy: -762.463359 where: bonds (distance) C4'-P energy: -145.655 bonds (distance) P-C4' energy: -146.242 flat angles C4'-P-C4' energy: -147.019 flat angles P-C4'-P energy: -106.968 tors. eta vs tors. theta energy: -216.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2356.469475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.469475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.469475 (E_RNA) where: Base-Base interactions energy: -1617.769 where: short stacking energy: -681.025 Base-Backbone interact. energy: -2.628 local terms energy: -736.072461 where: bonds (distance) C4'-P energy: -124.646 bonds (distance) P-C4' energy: -157.790 flat angles C4'-P-C4' energy: -154.274 flat angles P-C4'-P energy: -104.016 tors. eta vs tors. theta energy: -195.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2125.079161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.079161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.079161 (E_RNA) where: Base-Base interactions energy: -1415.514 where: short stacking energy: -609.358 Base-Backbone interact. energy: -2.864 local terms energy: -706.701331 where: bonds (distance) C4'-P energy: -128.971 bonds (distance) P-C4' energy: -145.536 flat angles C4'-P-C4' energy: -157.255 flat angles P-C4'-P energy: -97.325 tors. eta vs tors. theta energy: -177.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1949.470216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.470216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.470216 (E_RNA) where: Base-Base interactions energy: -1278.270 where: short stacking energy: -556.373 Base-Backbone interact. energy: -4.132 local terms energy: -667.067954 where: bonds (distance) C4'-P energy: -130.611 bonds (distance) P-C4' energy: -142.769 flat angles C4'-P-C4' energy: -152.968 flat angles P-C4'-P energy: -90.757 tors. eta vs tors. theta energy: -149.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1691.114994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.114994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.114994 (E_RNA) where: Base-Base interactions energy: -1123.786 where: short stacking energy: -498.202 Base-Backbone interact. energy: -3.426 local terms energy: -563.902777 where: bonds (distance) C4'-P energy: -103.655 bonds (distance) P-C4' energy: -120.040 flat angles C4'-P-C4' energy: -145.125 flat angles P-C4'-P energy: -80.836 tors. eta vs tors. theta energy: -114.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1412.517121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.517121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.517121 (E_RNA) where: Base-Base interactions energy: -901.491 where: short stacking energy: -387.818 Base-Backbone interact. energy: 2.711 local terms energy: -513.736534 where: bonds (distance) C4'-P energy: -124.882 bonds (distance) P-C4' energy: -133.558 flat angles C4'-P-C4' energy: -121.721 flat angles P-C4'-P energy: -57.592 tors. eta vs tors. theta energy: -75.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -817.426111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.426111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.426111 (E_RNA) where: Base-Base interactions energy: -420.873 where: short stacking energy: -208.067 Base-Backbone interact. energy: -2.752 local terms energy: -393.800991 where: bonds (distance) C4'-P energy: -132.870 bonds (distance) P-C4' energy: -112.188 flat angles C4'-P-C4' energy: -95.049 flat angles P-C4'-P energy: -66.637 tors. eta vs tors. theta energy: 12.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -608.324142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.324142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.324142 (E_RNA) where: Base-Base interactions energy: -253.185 where: short stacking energy: -168.744 Base-Backbone interact. energy: -2.251 local terms energy: -352.888307 where: bonds (distance) C4'-P energy: -103.251 bonds (distance) P-C4' energy: -123.207 flat angles C4'-P-C4' energy: -109.877 flat angles P-C4'-P energy: -59.309 tors. eta vs tors. theta energy: 42.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2670.843504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.843504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.843504 (E_RNA) where: Base-Base interactions energy: -1857.808 where: short stacking energy: -755.285 Base-Backbone interact. energy: -3.956 local terms energy: -809.080003 where: bonds (distance) C4'-P energy: -149.502 bonds (distance) P-C4' energy: -144.126 flat angles C4'-P-C4' energy: -176.209 flat angles P-C4'-P energy: -121.779 tors. eta vs tors. theta energy: -217.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2468.623476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.623476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.623476 (E_RNA) where: Base-Base interactions energy: -1666.765 where: short stacking energy: -715.153 Base-Backbone interact. energy: 0.462 local terms energy: -802.320356 where: bonds (distance) C4'-P energy: -149.502 bonds (distance) P-C4' energy: -149.728 flat angles C4'-P-C4' energy: -166.799 flat angles P-C4'-P energy: -116.285 tors. eta vs tors. theta energy: -220.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2419.404360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.404360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.404360 (E_RNA) where: Base-Base interactions energy: -1665.008 where: short stacking energy: -679.721 Base-Backbone interact. energy: -0.842 local terms energy: -753.554873 where: bonds (distance) C4'-P energy: -144.378 bonds (distance) P-C4' energy: -121.152 flat angles C4'-P-C4' energy: -157.229 flat angles P-C4'-P energy: -109.379 tors. eta vs tors. theta energy: -221.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2330.444876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.444876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.444876 (E_RNA) where: Base-Base interactions energy: -1602.372 where: short stacking energy: -685.045 Base-Backbone interact. energy: -2.980 local terms energy: -725.093378 where: bonds (distance) C4'-P energy: -147.012 bonds (distance) P-C4' energy: -139.950 flat angles C4'-P-C4' energy: -136.749 flat angles P-C4'-P energy: -109.052 tors. eta vs tors. theta energy: -192.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2099.622237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.622237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.622237 (E_RNA) where: Base-Base interactions energy: -1411.976 where: short stacking energy: -589.990 Base-Backbone interact. energy: -2.133 local terms energy: -685.513642 where: bonds (distance) C4'-P energy: -137.652 bonds (distance) P-C4' energy: -146.299 flat angles C4'-P-C4' energy: -147.586 flat angles P-C4'-P energy: -99.844 tors. eta vs tors. theta energy: -154.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1971.750185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.750185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.750185 (E_RNA) where: Base-Base interactions energy: -1340.015 where: short stacking energy: -582.278 Base-Backbone interact. energy: -5.375 local terms energy: -626.360215 where: bonds (distance) C4'-P energy: -112.035 bonds (distance) P-C4' energy: -134.980 flat angles C4'-P-C4' energy: -136.419 flat angles P-C4'-P energy: -90.668 tors. eta vs tors. theta energy: -152.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1656.981869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.981869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.981869 (E_RNA) where: Base-Base interactions energy: -1063.162 where: short stacking energy: -479.025 Base-Backbone interact. energy: -3.023 local terms energy: -590.796896 where: bonds (distance) C4'-P energy: -122.524 bonds (distance) P-C4' energy: -128.686 flat angles C4'-P-C4' energy: -130.165 flat angles P-C4'-P energy: -98.412 tors. eta vs tors. theta energy: -111.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1447.229141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.229141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.229141 (E_RNA) where: Base-Base interactions energy: -939.075 where: short stacking energy: -429.859 Base-Backbone interact. energy: -1.576 local terms energy: -506.578604 where: bonds (distance) C4'-P energy: -130.540 bonds (distance) P-C4' energy: -104.447 flat angles C4'-P-C4' energy: -132.654 flat angles P-C4'-P energy: -54.863 tors. eta vs tors. theta energy: -84.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -823.668856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.668856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.668856 (E_RNA) where: Base-Base interactions energy: -410.399 where: short stacking energy: -241.865 Base-Backbone interact. energy: -0.772 local terms energy: -412.497896 where: bonds (distance) C4'-P energy: -114.279 bonds (distance) P-C4' energy: -116.728 flat angles C4'-P-C4' energy: -120.216 flat angles P-C4'-P energy: -65.801 tors. eta vs tors. theta energy: 4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -667.321583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.321583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.321583 (E_RNA) where: Base-Base interactions energy: -312.891 where: short stacking energy: -173.003 Base-Backbone interact. energy: 4.776 local terms energy: -359.206107 where: bonds (distance) C4'-P energy: -122.490 bonds (distance) P-C4' energy: -118.535 flat angles C4'-P-C4' energy: -77.477 flat angles P-C4'-P energy: -65.586 tors. eta vs tors. theta energy: 24.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2657.198523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.198523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.198523 (E_RNA) where: Base-Base interactions energy: -1847.859 where: short stacking energy: -758.022 Base-Backbone interact. energy: -0.786 local terms energy: -808.553668 where: bonds (distance) C4'-P energy: -158.397 bonds (distance) P-C4' energy: -151.932 flat angles C4'-P-C4' energy: -167.866 flat angles P-C4'-P energy: -102.887 tors. eta vs tors. theta energy: -227.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2476.381716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.381716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.381716 (E_RNA) where: Base-Base interactions energy: -1709.329 where: short stacking energy: -725.543 Base-Backbone interact. energy: -0.577 local terms energy: -766.476464 where: bonds (distance) C4'-P energy: -143.181 bonds (distance) P-C4' energy: -148.650 flat angles C4'-P-C4' energy: -166.276 flat angles P-C4'-P energy: -95.018 tors. eta vs tors. theta energy: -213.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2432.270613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.270613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.270613 (E_RNA) where: Base-Base interactions energy: -1670.460 where: short stacking energy: -685.768 Base-Backbone interact. energy: -4.594 local terms energy: -757.217367 where: bonds (distance) C4'-P energy: -144.099 bonds (distance) P-C4' energy: -145.066 flat angles C4'-P-C4' energy: -150.500 flat angles P-C4'-P energy: -107.434 tors. eta vs tors. theta energy: -210.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2339.712308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.712308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.712308 (E_RNA) where: Base-Base interactions energy: -1620.863 where: short stacking energy: -678.967 Base-Backbone interact. energy: -1.112 local terms energy: -717.737412 where: bonds (distance) C4'-P energy: -124.554 bonds (distance) P-C4' energy: -135.792 flat angles C4'-P-C4' energy: -161.838 flat angles P-C4'-P energy: -105.789 tors. eta vs tors. theta energy: -189.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2137.766190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.766190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.766190 (E_RNA) where: Base-Base interactions energy: -1447.160 where: short stacking energy: -603.819 Base-Backbone interact. energy: -0.197 local terms energy: -690.409283 where: bonds (distance) C4'-P energy: -128.749 bonds (distance) P-C4' energy: -142.092 flat angles C4'-P-C4' energy: -154.836 flat angles P-C4'-P energy: -91.227 tors. eta vs tors. theta energy: -173.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1945.720818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.720818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.720818 (E_RNA) where: Base-Base interactions energy: -1319.912 where: short stacking energy: -570.215 Base-Backbone interact. energy: -0.850 local terms energy: -624.959519 where: bonds (distance) C4'-P energy: -133.437 bonds (distance) P-C4' energy: -123.839 flat angles C4'-P-C4' energy: -143.807 flat angles P-C4'-P energy: -78.554 tors. eta vs tors. theta energy: -145.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1640.777840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.777840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.777840 (E_RNA) where: Base-Base interactions energy: -1072.998 where: short stacking energy: -447.435 Base-Backbone interact. energy: 5.151 local terms energy: -572.931044 where: bonds (distance) C4'-P energy: -108.867 bonds (distance) P-C4' energy: -142.595 flat angles C4'-P-C4' energy: -130.926 flat angles P-C4'-P energy: -87.184 tors. eta vs tors. theta energy: -103.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1324.793373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.793373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.793373 (E_RNA) where: Base-Base interactions energy: -823.100 where: short stacking energy: -357.497 Base-Backbone interact. energy: -1.658 local terms energy: -500.034978 where: bonds (distance) C4'-P energy: -115.927 bonds (distance) P-C4' energy: -127.017 flat angles C4'-P-C4' energy: -132.503 flat angles P-C4'-P energy: -61.265 tors. eta vs tors. theta energy: -63.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -826.161350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.161350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.161350 (E_RNA) where: Base-Base interactions energy: -365.212 where: short stacking energy: -234.874 Base-Backbone interact. energy: -3.409 local terms energy: -457.540695 where: bonds (distance) C4'-P energy: -131.470 bonds (distance) P-C4' energy: -133.916 flat angles C4'-P-C4' energy: -119.031 flat angles P-C4'-P energy: -68.831 tors. eta vs tors. theta energy: -4.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -703.729834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.729834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.729834 (E_RNA) where: Base-Base interactions energy: -311.859 where: short stacking energy: -206.357 Base-Backbone interact. energy: 1.150 local terms energy: -393.021099 where: bonds (distance) C4'-P energy: -107.576 bonds (distance) P-C4' energy: -132.451 flat angles C4'-P-C4' energy: -95.596 flat angles P-C4'-P energy: -57.847 tors. eta vs tors. theta energy: 0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2682.734376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.734376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.734376 (E_RNA) where: Base-Base interactions energy: -1856.855 where: short stacking energy: -763.892 Base-Backbone interact. energy: -2.754 local terms energy: -823.125269 where: bonds (distance) C4'-P energy: -145.636 bonds (distance) P-C4' energy: -144.890 flat angles C4'-P-C4' energy: -180.484 flat angles P-C4'-P energy: -122.150 tors. eta vs tors. theta energy: -229.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2476.663778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.663778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.663778 (E_RNA) where: Base-Base interactions energy: -1682.473 where: short stacking energy: -721.284 Base-Backbone interact. energy: 1.807 local terms energy: -795.998453 where: bonds (distance) C4'-P energy: -142.447 bonds (distance) P-C4' energy: -151.814 flat angles C4'-P-C4' energy: -174.782 flat angles P-C4'-P energy: -123.175 tors. eta vs tors. theta energy: -203.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2417.137871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.137871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.137871 (E_RNA) where: Base-Base interactions energy: -1686.347 where: short stacking energy: -704.357 Base-Backbone interact. energy: -0.703 local terms energy: -730.088404 where: bonds (distance) C4'-P energy: -131.211 bonds (distance) P-C4' energy: -130.742 flat angles C4'-P-C4' energy: -168.489 flat angles P-C4'-P energy: -100.034 tors. eta vs tors. theta energy: -199.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2317.617647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.617647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.617647 (E_RNA) where: Base-Base interactions energy: -1588.905 where: short stacking energy: -676.147 Base-Backbone interact. energy: -3.581 local terms energy: -725.131308 where: bonds (distance) C4'-P energy: -137.768 bonds (distance) P-C4' energy: -139.381 flat angles C4'-P-C4' energy: -152.892 flat angles P-C4'-P energy: -101.546 tors. eta vs tors. theta energy: -193.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2141.041601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.041601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.041601 (E_RNA) where: Base-Base interactions energy: -1447.666 where: short stacking energy: -617.034 Base-Backbone interact. energy: -3.364 local terms energy: -690.011092 where: bonds (distance) C4'-P energy: -125.500 bonds (distance) P-C4' energy: -143.100 flat angles C4'-P-C4' energy: -147.175 flat angles P-C4'-P energy: -90.204 tors. eta vs tors. theta energy: -184.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1977.170480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.170480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.170480 (E_RNA) where: Base-Base interactions energy: -1331.073 where: short stacking energy: -571.524 Base-Backbone interact. energy: -2.438 local terms energy: -643.659617 where: bonds (distance) C4'-P energy: -129.015 bonds (distance) P-C4' energy: -144.131 flat angles C4'-P-C4' energy: -139.153 flat angles P-C4'-P energy: -89.825 tors. eta vs tors. theta energy: -141.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1753.696838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.696838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.696838 (E_RNA) where: Base-Base interactions energy: -1182.616 where: short stacking energy: -503.240 Base-Backbone interact. energy: -1.873 local terms energy: -569.207241 where: bonds (distance) C4'-P energy: -133.773 bonds (distance) P-C4' energy: -117.594 flat angles C4'-P-C4' energy: -138.372 flat angles P-C4'-P energy: -68.602 tors. eta vs tors. theta energy: -110.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1339.506328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.506328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.506328 (E_RNA) where: Base-Base interactions energy: -822.159 where: short stacking energy: -343.270 Base-Backbone interact. energy: 2.777 local terms energy: -520.124276 where: bonds (distance) C4'-P energy: -108.659 bonds (distance) P-C4' energy: -132.113 flat angles C4'-P-C4' energy: -133.947 flat angles P-C4'-P energy: -86.891 tors. eta vs tors. theta energy: -58.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -857.634860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.634860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.634860 (E_RNA) where: Base-Base interactions energy: -449.014 where: short stacking energy: -247.630 Base-Backbone interact. energy: -3.757 local terms energy: -404.863802 where: bonds (distance) C4'-P energy: -124.082 bonds (distance) P-C4' energy: -125.846 flat angles C4'-P-C4' energy: -114.885 flat angles P-C4'-P energy: -40.758 tors. eta vs tors. theta energy: 0.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -685.791935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.791935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.791935 (E_RNA) where: Base-Base interactions energy: -316.118 where: short stacking energy: -225.454 Base-Backbone interact. energy: 0.509 local terms energy: -370.183185 where: bonds (distance) C4'-P energy: -88.405 bonds (distance) P-C4' energy: -132.491 flat angles C4'-P-C4' energy: -97.234 flat angles P-C4'-P energy: -49.536 tors. eta vs tors. theta energy: -2.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2639.378066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.378066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.378066 (E_RNA) where: Base-Base interactions energy: -1844.676 where: short stacking energy: -757.853 Base-Backbone interact. energy: -3.131 local terms energy: -792.130055 where: bonds (distance) C4'-P energy: -150.657 bonds (distance) P-C4' energy: -145.207 flat angles C4'-P-C4' energy: -164.838 flat angles P-C4'-P energy: -111.838 tors. eta vs tors. theta energy: -219.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.559 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2475.182518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.182518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.182518 (E_RNA) where: Base-Base interactions energy: -1667.652 where: short stacking energy: -719.863 Base-Backbone interact. energy: -1.078 local terms energy: -806.452296 where: bonds (distance) C4'-P energy: -160.253 bonds (distance) P-C4' energy: -148.897 flat angles C4'-P-C4' energy: -167.574 flat angles P-C4'-P energy: -113.018 tors. eta vs tors. theta energy: -216.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2409.589458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.589458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.589458 (E_RNA) where: Base-Base interactions energy: -1674.452 where: short stacking energy: -689.240 Base-Backbone interact. energy: -0.799 local terms energy: -734.338133 where: bonds (distance) C4'-P energy: -134.044 bonds (distance) P-C4' energy: -152.291 flat angles C4'-P-C4' energy: -152.900 flat angles P-C4'-P energy: -104.389 tors. eta vs tors. theta energy: -190.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2376.480751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.480751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.480751 (E_RNA) where: Base-Base interactions energy: -1627.508 where: short stacking energy: -715.359 Base-Backbone interact. energy: -0.417 local terms energy: -748.555372 where: bonds (distance) C4'-P energy: -140.311 bonds (distance) P-C4' energy: -126.325 flat angles C4'-P-C4' energy: -169.776 flat angles P-C4'-P energy: -101.139 tors. eta vs tors. theta energy: -211.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2116.892776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.892776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.892776 (E_RNA) where: Base-Base interactions energy: -1453.327 where: short stacking energy: -617.783 Base-Backbone interact. energy: -1.626 local terms energy: -661.939889 where: bonds (distance) C4'-P energy: -140.669 bonds (distance) P-C4' energy: -116.978 flat angles C4'-P-C4' energy: -149.428 flat angles P-C4'-P energy: -81.697 tors. eta vs tors. theta energy: -173.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1883.635559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.635559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.635559 (E_RNA) where: Base-Base interactions energy: -1247.232 where: short stacking energy: -540.376 Base-Backbone interact. energy: -4.707 local terms energy: -631.696135 where: bonds (distance) C4'-P energy: -126.247 bonds (distance) P-C4' energy: -135.954 flat angles C4'-P-C4' energy: -135.819 flat angles P-C4'-P energy: -76.162 tors. eta vs tors. theta energy: -157.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1739.527009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.527009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.527009 (E_RNA) where: Base-Base interactions energy: -1126.144 where: short stacking energy: -502.795 Base-Backbone interact. energy: 1.485 local terms energy: -614.868519 where: bonds (distance) C4'-P energy: -124.582 bonds (distance) P-C4' energy: -143.067 flat angles C4'-P-C4' energy: -139.972 flat angles P-C4'-P energy: -83.457 tors. eta vs tors. theta energy: -123.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1287.636072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.636072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.636072 (E_RNA) where: Base-Base interactions energy: -800.113 where: short stacking energy: -374.954 Base-Backbone interact. energy: -0.997 local terms energy: -486.526158 where: bonds (distance) C4'-P energy: -133.587 bonds (distance) P-C4' energy: -113.093 flat angles C4'-P-C4' energy: -104.788 flat angles P-C4'-P energy: -81.851 tors. eta vs tors. theta energy: -53.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -880.624232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.624232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.624232 (E_RNA) where: Base-Base interactions energy: -479.216 where: short stacking energy: -277.630 Base-Backbone interact. energy: -0.976 local terms energy: -400.432576 where: bonds (distance) C4'-P energy: -108.038 bonds (distance) P-C4' energy: -96.003 flat angles C4'-P-C4' energy: -105.670 flat angles P-C4'-P energy: -63.804 tors. eta vs tors. theta energy: -26.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -616.702371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.702371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.702371 (E_RNA) where: Base-Base interactions energy: -221.045 where: short stacking energy: -153.546 Base-Backbone interact. energy: 0.254 local terms energy: -395.911422 where: bonds (distance) C4'-P energy: -110.455 bonds (distance) P-C4' energy: -121.421 flat angles C4'-P-C4' energy: -107.224 flat angles P-C4'-P energy: -72.764 tors. eta vs tors. theta energy: 15.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2647.346269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.346269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.346269 (E_RNA) where: Base-Base interactions energy: -1846.758 where: short stacking energy: -744.863 Base-Backbone interact. energy: -4.531 local terms energy: -796.057083 where: bonds (distance) C4'-P energy: -138.654 bonds (distance) P-C4' energy: -161.373 flat angles C4'-P-C4' energy: -161.673 flat angles P-C4'-P energy: -123.642 tors. eta vs tors. theta energy: -210.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2487.428337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.428337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.428337 (E_RNA) where: Base-Base interactions energy: -1700.086 where: short stacking energy: -729.677 Base-Backbone interact. energy: -0.209 local terms energy: -787.133602 where: bonds (distance) C4'-P energy: -147.665 bonds (distance) P-C4' energy: -155.422 flat angles C4'-P-C4' energy: -158.549 flat angles P-C4'-P energy: -107.360 tors. eta vs tors. theta energy: -218.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2423.026627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.026627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.026627 (E_RNA) where: Base-Base interactions energy: -1667.726 where: short stacking energy: -694.979 Base-Backbone interact. energy: -2.499 local terms energy: -752.801984 where: bonds (distance) C4'-P energy: -155.649 bonds (distance) P-C4' energy: -144.888 flat angles C4'-P-C4' energy: -158.423 flat angles P-C4'-P energy: -93.218 tors. eta vs tors. theta energy: -200.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2344.937244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.937244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.937244 (E_RNA) where: Base-Base interactions energy: -1631.405 where: short stacking energy: -687.837 Base-Backbone interact. energy: -3.421 local terms energy: -710.111132 where: bonds (distance) C4'-P energy: -118.654 bonds (distance) P-C4' energy: -125.165 flat angles C4'-P-C4' energy: -154.169 flat angles P-C4'-P energy: -106.129 tors. eta vs tors. theta energy: -205.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2097.022934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.022934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.022934 (E_RNA) where: Base-Base interactions energy: -1414.625 where: short stacking energy: -598.612 Base-Backbone interact. energy: -3.134 local terms energy: -679.263415 where: bonds (distance) C4'-P energy: -144.645 bonds (distance) P-C4' energy: -141.331 flat angles C4'-P-C4' energy: -140.776 flat angles P-C4'-P energy: -90.351 tors. eta vs tors. theta energy: -162.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1835.006877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.006877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.006877 (E_RNA) where: Base-Base interactions energy: -1201.094 where: short stacking energy: -538.501 Base-Backbone interact. energy: 1.272 local terms energy: -635.184698 where: bonds (distance) C4'-P energy: -137.472 bonds (distance) P-C4' energy: -152.074 flat angles C4'-P-C4' energy: -129.358 flat angles P-C4'-P energy: -93.916 tors. eta vs tors. theta energy: -122.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1742.084347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.084347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.084347 (E_RNA) where: Base-Base interactions energy: -1139.024 where: short stacking energy: -509.204 Base-Backbone interact. energy: -0.105 local terms energy: -602.955638 where: bonds (distance) C4'-P energy: -123.124 bonds (distance) P-C4' energy: -141.253 flat angles C4'-P-C4' energy: -143.292 flat angles P-C4'-P energy: -89.800 tors. eta vs tors. theta energy: -105.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1301.264220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.264220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.264220 (E_RNA) where: Base-Base interactions energy: -792.202 where: short stacking energy: -352.821 Base-Backbone interact. energy: 1.957 local terms energy: -511.019597 where: bonds (distance) C4'-P energy: -115.291 bonds (distance) P-C4' energy: -141.799 flat angles C4'-P-C4' energy: -118.474 flat angles P-C4'-P energy: -61.926 tors. eta vs tors. theta energy: -73.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -884.947213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.947213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.947213 (E_RNA) where: Base-Base interactions energy: -466.039 where: short stacking energy: -268.076 Base-Backbone interact. energy: -2.659 local terms energy: -416.249596 where: bonds (distance) C4'-P energy: -141.073 bonds (distance) P-C4' energy: -117.831 flat angles C4'-P-C4' energy: -95.685 flat angles P-C4'-P energy: -59.301 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -592.835138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.835138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.835138 (E_RNA) where: Base-Base interactions energy: -226.455 where: short stacking energy: -160.464 Base-Backbone interact. energy: 3.220 local terms energy: -369.599953 where: bonds (distance) C4'-P energy: -100.287 bonds (distance) P-C4' energy: -115.862 flat angles C4'-P-C4' energy: -126.832 flat angles P-C4'-P energy: -48.990 tors. eta vs tors. theta energy: 22.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2654.975171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.975171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.975171 (E_RNA) where: Base-Base interactions energy: -1846.512 where: short stacking energy: -750.580 Base-Backbone interact. energy: -1.510 local terms energy: -806.953298 where: bonds (distance) C4'-P energy: -139.826 bonds (distance) P-C4' energy: -158.126 flat angles C4'-P-C4' energy: -171.388 flat angles P-C4'-P energy: -118.742 tors. eta vs tors. theta energy: -218.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2511.888377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.888377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.888377 (E_RNA) where: Base-Base interactions energy: -1704.164 where: short stacking energy: -753.532 Base-Backbone interact. energy: 2.052 local terms energy: -809.776346 where: bonds (distance) C4'-P energy: -137.919 bonds (distance) P-C4' energy: -146.459 flat angles C4'-P-C4' energy: -173.128 flat angles P-C4'-P energy: -111.525 tors. eta vs tors. theta energy: -240.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2463.190428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.190428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.190428 (E_RNA) where: Base-Base interactions energy: -1712.701 where: short stacking energy: -732.233 Base-Backbone interact. energy: -1.641 local terms energy: -749.098543 where: bonds (distance) C4'-P energy: -132.811 bonds (distance) P-C4' energy: -140.454 flat angles C4'-P-C4' energy: -167.955 flat angles P-C4'-P energy: -103.991 tors. eta vs tors. theta energy: -203.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.250 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2342.207342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.207342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.207342 (E_RNA) where: Base-Base interactions energy: -1607.661 where: short stacking energy: -687.637 Base-Backbone interact. energy: -1.640 local terms energy: -732.906667 where: bonds (distance) C4'-P energy: -135.535 bonds (distance) P-C4' energy: -140.549 flat angles C4'-P-C4' energy: -148.403 flat angles P-C4'-P energy: -102.839 tors. eta vs tors. theta energy: -205.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2123.309415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.309415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.309415 (E_RNA) where: Base-Base interactions energy: -1440.649 where: short stacking energy: -609.183 Base-Backbone interact. energy: -1.714 local terms energy: -680.945795 where: bonds (distance) C4'-P energy: -134.721 bonds (distance) P-C4' energy: -133.418 flat angles C4'-P-C4' energy: -155.380 flat angles P-C4'-P energy: -88.811 tors. eta vs tors. theta energy: -168.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1779.546330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.546330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.546330 (E_RNA) where: Base-Base interactions energy: -1174.709 where: short stacking energy: -510.531 Base-Backbone interact. energy: -0.498 local terms energy: -604.338961 where: bonds (distance) C4'-P energy: -115.747 bonds (distance) P-C4' energy: -133.970 flat angles C4'-P-C4' energy: -145.542 flat angles P-C4'-P energy: -101.864 tors. eta vs tors. theta energy: -107.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1663.142350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.142350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.142350 (E_RNA) where: Base-Base interactions energy: -1078.298 where: short stacking energy: -483.817 Base-Backbone interact. energy: 2.729 local terms energy: -587.573300 where: bonds (distance) C4'-P energy: -139.303 bonds (distance) P-C4' energy: -129.056 flat angles C4'-P-C4' energy: -130.632 flat angles P-C4'-P energy: -85.018 tors. eta vs tors. theta energy: -103.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1367.444787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.444787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.444787 (E_RNA) where: Base-Base interactions energy: -833.839 where: short stacking energy: -362.147 Base-Backbone interact. energy: 0.217 local terms energy: -533.823005 where: bonds (distance) C4'-P energy: -128.350 bonds (distance) P-C4' energy: -139.914 flat angles C4'-P-C4' energy: -110.993 flat angles P-C4'-P energy: -84.270 tors. eta vs tors. theta energy: -70.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -877.691546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.691546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.691546 (E_RNA) where: Base-Base interactions energy: -446.459 where: short stacking energy: -247.248 Base-Backbone interact. energy: 1.101 local terms energy: -432.332786 where: bonds (distance) C4'-P energy: -118.282 bonds (distance) P-C4' energy: -120.168 flat angles C4'-P-C4' energy: -114.363 flat angles P-C4'-P energy: -79.455 tors. eta vs tors. theta energy: -0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -602.497416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.497416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.497416 (E_RNA) where: Base-Base interactions energy: -215.604 where: short stacking energy: -164.126 Base-Backbone interact. energy: -1.402 local terms energy: -385.491331 where: bonds (distance) C4'-P energy: -107.615 bonds (distance) P-C4' energy: -121.041 flat angles C4'-P-C4' energy: -111.632 flat angles P-C4'-P energy: -66.271 tors. eta vs tors. theta energy: 21.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2669.409207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.409207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.409207 (E_RNA) where: Base-Base interactions energy: -1869.641 where: short stacking energy: -770.333 Base-Backbone interact. energy: -4.961 local terms energy: -794.807788 where: bonds (distance) C4'-P energy: -143.959 bonds (distance) P-C4' energy: -137.409 flat angles C4'-P-C4' energy: -176.352 flat angles P-C4'-P energy: -114.274 tors. eta vs tors. theta energy: -222.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2463.590095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.590095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.590095 (E_RNA) where: Base-Base interactions energy: -1686.721 where: short stacking energy: -728.128 Base-Backbone interact. energy: -0.836 local terms energy: -776.033046 where: bonds (distance) C4'-P energy: -125.390 bonds (distance) P-C4' energy: -135.832 flat angles C4'-P-C4' energy: -160.330 flat angles P-C4'-P energy: -125.724 tors. eta vs tors. theta energy: -228.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2450.252824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.252824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.252824 (E_RNA) where: Base-Base interactions energy: -1674.774 where: short stacking energy: -712.590 Base-Backbone interact. energy: -3.253 local terms energy: -772.225514 where: bonds (distance) C4'-P energy: -147.767 bonds (distance) P-C4' energy: -155.895 flat angles C4'-P-C4' energy: -158.290 flat angles P-C4'-P energy: -106.357 tors. eta vs tors. theta energy: -203.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2339.628210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.628210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.628210 (E_RNA) where: Base-Base interactions energy: -1626.267 where: short stacking energy: -688.846 Base-Backbone interact. energy: -2.897 local terms energy: -710.464584 where: bonds (distance) C4'-P energy: -130.128 bonds (distance) P-C4' energy: -148.671 flat angles C4'-P-C4' energy: -141.979 flat angles P-C4'-P energy: -78.546 tors. eta vs tors. theta energy: -211.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2093.024024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.024024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.024024 (E_RNA) where: Base-Base interactions energy: -1405.390 where: short stacking energy: -590.799 Base-Backbone interact. energy: -2.340 local terms energy: -685.293824 where: bonds (distance) C4'-P energy: -127.391 bonds (distance) P-C4' energy: -121.355 flat angles C4'-P-C4' energy: -160.336 flat angles P-C4'-P energy: -106.712 tors. eta vs tors. theta energy: -169.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1816.341556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.341556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.341556 (E_RNA) where: Base-Base interactions energy: -1226.906 where: short stacking energy: -528.247 Base-Backbone interact. energy: 0.606 local terms energy: -590.041151 where: bonds (distance) C4'-P energy: -121.204 bonds (distance) P-C4' energy: -126.061 flat angles C4'-P-C4' energy: -136.706 flat angles P-C4'-P energy: -92.791 tors. eta vs tors. theta energy: -113.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1675.538105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.538105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.538105 (E_RNA) where: Base-Base interactions energy: -1108.596 where: short stacking energy: -496.860 Base-Backbone interact. energy: 3.757 local terms energy: -570.699748 where: bonds (distance) C4'-P energy: -103.797 bonds (distance) P-C4' energy: -126.326 flat angles C4'-P-C4' energy: -136.962 flat angles P-C4'-P energy: -81.424 tors. eta vs tors. theta energy: -122.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1360.122612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.122612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.122612 (E_RNA) where: Base-Base interactions energy: -855.010 where: short stacking energy: -399.867 Base-Backbone interact. energy: 4.512 local terms energy: -509.624617 where: bonds (distance) C4'-P energy: -113.693 bonds (distance) P-C4' energy: -137.728 flat angles C4'-P-C4' energy: -122.825 flat angles P-C4'-P energy: -72.814 tors. eta vs tors. theta energy: -62.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -856.517808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.517808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.517808 (E_RNA) where: Base-Base interactions energy: -434.079 where: short stacking energy: -251.326 Base-Backbone interact. energy: 4.890 local terms energy: -427.328877 where: bonds (distance) C4'-P energy: -105.032 bonds (distance) P-C4' energy: -124.222 flat angles C4'-P-C4' energy: -119.780 flat angles P-C4'-P energy: -62.914 tors. eta vs tors. theta energy: -15.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -629.587289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.587289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.587289 (E_RNA) where: Base-Base interactions energy: -252.587 where: short stacking energy: -191.155 Base-Backbone interact. energy: -0.909 local terms energy: -376.091106 where: bonds (distance) C4'-P energy: -135.617 bonds (distance) P-C4' energy: -115.205 flat angles C4'-P-C4' energy: -73.589 flat angles P-C4'-P energy: -59.417 tors. eta vs tors. theta energy: 7.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2655.979751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.979751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.979751 (E_RNA) where: Base-Base interactions energy: -1827.761 where: short stacking energy: -766.553 Base-Backbone interact. energy: -1.983 local terms energy: -826.235593 where: bonds (distance) C4'-P energy: -144.309 bonds (distance) P-C4' energy: -163.303 flat angles C4'-P-C4' energy: -178.139 flat angles P-C4'-P energy: -115.601 tors. eta vs tors. theta energy: -224.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2453.509476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.509476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.509476 (E_RNA) where: Base-Base interactions energy: -1652.087 where: short stacking energy: -732.277 Base-Backbone interact. energy: 4.862 local terms energy: -806.284032 where: bonds (distance) C4'-P energy: -159.391 bonds (distance) P-C4' energy: -152.513 flat angles C4'-P-C4' energy: -162.576 flat angles P-C4'-P energy: -112.041 tors. eta vs tors. theta energy: -219.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2396.585296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.585296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.585296 (E_RNA) where: Base-Base interactions energy: -1636.078 where: short stacking energy: -713.009 Base-Backbone interact. energy: -0.552 local terms energy: -759.954631 where: bonds (distance) C4'-P energy: -135.283 bonds (distance) P-C4' energy: -154.854 flat angles C4'-P-C4' energy: -149.502 flat angles P-C4'-P energy: -116.950 tors. eta vs tors. theta energy: -203.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2370.482099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.482099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.482099 (E_RNA) where: Base-Base interactions energy: -1626.233 where: short stacking energy: -712.429 Base-Backbone interact. energy: 0.342 local terms energy: -744.590783 where: bonds (distance) C4'-P energy: -138.669 bonds (distance) P-C4' energy: -138.252 flat angles C4'-P-C4' energy: -152.209 flat angles P-C4'-P energy: -100.798 tors. eta vs tors. theta energy: -214.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2111.002348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.002348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.002348 (E_RNA) where: Base-Base interactions energy: -1426.942 where: short stacking energy: -618.652 Base-Backbone interact. energy: -0.913 local terms energy: -683.147255 where: bonds (distance) C4'-P energy: -138.166 bonds (distance) P-C4' energy: -128.946 flat angles C4'-P-C4' energy: -151.081 flat angles P-C4'-P energy: -100.905 tors. eta vs tors. theta energy: -164.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1808.229879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.229879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.229879 (E_RNA) where: Base-Base interactions energy: -1201.837 where: short stacking energy: -511.020 Base-Backbone interact. energy: -2.673 local terms energy: -603.720189 where: bonds (distance) C4'-P energy: -130.080 bonds (distance) P-C4' energy: -133.165 flat angles C4'-P-C4' energy: -141.053 flat angles P-C4'-P energy: -76.265 tors. eta vs tors. theta energy: -123.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1667.459977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.459977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.459977 (E_RNA) where: Base-Base interactions energy: -1101.979 where: short stacking energy: -496.619 Base-Backbone interact. energy: 1.163 local terms energy: -566.643961 where: bonds (distance) C4'-P energy: -108.277 bonds (distance) P-C4' energy: -129.046 flat angles C4'-P-C4' energy: -128.831 flat angles P-C4'-P energy: -87.805 tors. eta vs tors. theta energy: -112.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1371.669750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.669750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.669750 (E_RNA) where: Base-Base interactions energy: -861.613 where: short stacking energy: -382.959 Base-Backbone interact. energy: -3.922 local terms energy: -506.135058 where: bonds (distance) C4'-P energy: -120.405 bonds (distance) P-C4' energy: -124.467 flat angles C4'-P-C4' energy: -118.883 flat angles P-C4'-P energy: -71.569 tors. eta vs tors. theta energy: -70.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -873.523545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.523545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.523545 (E_RNA) where: Base-Base interactions energy: -458.015 where: short stacking energy: -249.311 Base-Backbone interact. energy: 6.177 local terms energy: -421.684866 where: bonds (distance) C4'-P energy: -122.096 bonds (distance) P-C4' energy: -129.528 flat angles C4'-P-C4' energy: -99.796 flat angles P-C4'-P energy: -62.348 tors. eta vs tors. theta energy: -7.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -679.164203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.164203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.164203 (E_RNA) where: Base-Base interactions energy: -266.102 where: short stacking energy: -180.030 Base-Backbone interact. energy: -2.595 local terms energy: -410.466814 where: bonds (distance) C4'-P energy: -109.233 bonds (distance) P-C4' energy: -133.798 flat angles C4'-P-C4' energy: -108.264 flat angles P-C4'-P energy: -74.657 tors. eta vs tors. theta energy: 15.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2657.554585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.554585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.554585 (E_RNA) where: Base-Base interactions energy: -1833.584 where: short stacking energy: -785.632 Base-Backbone interact. energy: -3.040 local terms energy: -820.930455 where: bonds (distance) C4'-P energy: -149.665 bonds (distance) P-C4' energy: -149.891 flat angles C4'-P-C4' energy: -180.194 flat angles P-C4'-P energy: -113.444 tors. eta vs tors. theta energy: -227.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2491.067534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.067534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.067534 (E_RNA) where: Base-Base interactions energy: -1719.138 where: short stacking energy: -741.230 Base-Backbone interact. energy: -2.565 local terms energy: -769.365078 where: bonds (distance) C4'-P energy: -136.034 bonds (distance) P-C4' energy: -145.452 flat angles C4'-P-C4' energy: -158.250 flat angles P-C4'-P energy: -117.395 tors. eta vs tors. theta energy: -212.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2476.751179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.751179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.751179 (E_RNA) where: Base-Base interactions energy: -1701.269 where: short stacking energy: -707.178 Base-Backbone interact. energy: -1.593 local terms energy: -773.888806 where: bonds (distance) C4'-P energy: -149.908 bonds (distance) P-C4' energy: -141.344 flat angles C4'-P-C4' energy: -164.615 flat angles P-C4'-P energy: -112.722 tors. eta vs tors. theta energy: -205.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2341.658899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.658899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.658899 (E_RNA) where: Base-Base interactions energy: -1591.114 where: short stacking energy: -693.547 Base-Backbone interact. energy: -3.622 local terms energy: -746.922569 where: bonds (distance) C4'-P energy: -136.174 bonds (distance) P-C4' energy: -131.169 flat angles C4'-P-C4' energy: -157.173 flat angles P-C4'-P energy: -120.916 tors. eta vs tors. theta energy: -201.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2103.317267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.317267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.317267 (E_RNA) where: Base-Base interactions energy: -1433.446 where: short stacking energy: -608.701 Base-Backbone interact. energy: -2.273 local terms energy: -667.597614 where: bonds (distance) C4'-P energy: -126.301 bonds (distance) P-C4' energy: -131.248 flat angles C4'-P-C4' energy: -151.646 flat angles P-C4'-P energy: -95.251 tors. eta vs tors. theta energy: -163.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1960.967092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.967092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.967092 (E_RNA) where: Base-Base interactions energy: -1332.752 where: short stacking energy: -574.356 Base-Backbone interact. energy: -3.713 local terms energy: -624.501877 where: bonds (distance) C4'-P energy: -121.062 bonds (distance) P-C4' energy: -117.503 flat angles C4'-P-C4' energy: -154.499 flat angles P-C4'-P energy: -96.185 tors. eta vs tors. theta energy: -135.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1669.224733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.224733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.224733 (E_RNA) where: Base-Base interactions energy: -1105.271 where: short stacking energy: -508.225 Base-Backbone interact. energy: -4.383 local terms energy: -559.570874 where: bonds (distance) C4'-P energy: -126.103 bonds (distance) P-C4' energy: -110.736 flat angles C4'-P-C4' energy: -145.974 flat angles P-C4'-P energy: -75.119 tors. eta vs tors. theta energy: -101.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1391.123725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.123725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.123725 (E_RNA) where: Base-Base interactions energy: -857.830 where: short stacking energy: -381.393 Base-Backbone interact. energy: 0.193 local terms energy: -533.485905 where: bonds (distance) C4'-P energy: -117.981 bonds (distance) P-C4' energy: -129.382 flat angles C4'-P-C4' energy: -127.828 flat angles P-C4'-P energy: -71.530 tors. eta vs tors. theta energy: -86.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -918.618661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.618661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.618661 (E_RNA) where: Base-Base interactions energy: -485.132 where: short stacking energy: -275.411 Base-Backbone interact. energy: 4.222 local terms energy: -437.708654 where: bonds (distance) C4'-P energy: -124.381 bonds (distance) P-C4' energy: -126.825 flat angles C4'-P-C4' energy: -110.091 flat angles P-C4'-P energy: -53.870 tors. eta vs tors. theta energy: -22.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -608.084954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.084954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.084954 (E_RNA) where: Base-Base interactions energy: -239.278 where: short stacking energy: -156.594 Base-Backbone interact. energy: -0.262 local terms energy: -368.544599 where: bonds (distance) C4'-P energy: -126.340 bonds (distance) P-C4' energy: -116.858 flat angles C4'-P-C4' energy: -109.404 flat angles P-C4'-P energy: -58.214 tors. eta vs tors. theta energy: 42.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2648.620224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.620224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.620224 (E_RNA) where: Base-Base interactions energy: -1815.315 where: short stacking energy: -763.843 Base-Backbone interact. energy: -2.793 local terms energy: -830.512357 where: bonds (distance) C4'-P energy: -159.391 bonds (distance) P-C4' energy: -152.435 flat angles C4'-P-C4' energy: -175.708 flat angles P-C4'-P energy: -113.337 tors. eta vs tors. theta energy: -229.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2490.721013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.721013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.721013 (E_RNA) where: Base-Base interactions energy: -1721.136 where: short stacking energy: -759.398 Base-Backbone interact. energy: 2.149 local terms energy: -771.734526 where: bonds (distance) C4'-P energy: -140.910 bonds (distance) P-C4' energy: -130.640 flat angles C4'-P-C4' energy: -165.356 flat angles P-C4'-P energy: -115.034 tors. eta vs tors. theta energy: -219.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2435.026438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.026438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.026438 (E_RNA) where: Base-Base interactions energy: -1706.285 where: short stacking energy: -728.941 Base-Backbone interact. energy: -3.242 local terms energy: -725.499465 where: bonds (distance) C4'-P energy: -123.111 bonds (distance) P-C4' energy: -142.419 flat angles C4'-P-C4' energy: -152.199 flat angles P-C4'-P energy: -102.516 tors. eta vs tors. theta energy: -205.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2383.873506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.873506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.873506 (E_RNA) where: Base-Base interactions energy: -1619.224 where: short stacking energy: -703.476 Base-Backbone interact. energy: 1.805 local terms energy: -766.454650 where: bonds (distance) C4'-P energy: -143.387 bonds (distance) P-C4' energy: -145.886 flat angles C4'-P-C4' energy: -159.965 flat angles P-C4'-P energy: -114.842 tors. eta vs tors. theta energy: -202.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2067.800484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.800484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.800484 (E_RNA) where: Base-Base interactions energy: -1378.742 where: short stacking energy: -589.897 Base-Backbone interact. energy: -3.956 local terms energy: -685.102571 where: bonds (distance) C4'-P energy: -145.734 bonds (distance) P-C4' energy: -145.441 flat angles C4'-P-C4' energy: -141.208 flat angles P-C4'-P energy: -93.332 tors. eta vs tors. theta energy: -159.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1976.594547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.594547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.594547 (E_RNA) where: Base-Base interactions energy: -1346.300 where: short stacking energy: -564.157 Base-Backbone interact. energy: 2.808 local terms energy: -633.102586 where: bonds (distance) C4'-P energy: -128.915 bonds (distance) P-C4' energy: -119.576 flat angles C4'-P-C4' energy: -146.792 flat angles P-C4'-P energy: -90.921 tors. eta vs tors. theta energy: -146.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1689.280570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.280570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.280570 (E_RNA) where: Base-Base interactions energy: -1097.323 where: short stacking energy: -480.535 Base-Backbone interact. energy: 0.947 local terms energy: -592.904648 where: bonds (distance) C4'-P energy: -108.670 bonds (distance) P-C4' energy: -127.424 flat angles C4'-P-C4' energy: -140.077 flat angles P-C4'-P energy: -102.427 tors. eta vs tors. theta energy: -114.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1507.437723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.437723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.437723 (E_RNA) where: Base-Base interactions energy: -954.727 where: short stacking energy: -421.005 Base-Backbone interact. energy: 5.442 local terms energy: -558.153497 where: bonds (distance) C4'-P energy: -120.338 bonds (distance) P-C4' energy: -132.809 flat angles C4'-P-C4' energy: -141.938 flat angles P-C4'-P energy: -69.582 tors. eta vs tors. theta energy: -93.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -851.828927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.828927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.828927 (E_RNA) where: Base-Base interactions energy: -432.103 where: short stacking energy: -257.223 Base-Backbone interact. energy: -2.370 local terms energy: -417.356550 where: bonds (distance) C4'-P energy: -107.868 bonds (distance) P-C4' energy: -125.255 flat angles C4'-P-C4' energy: -110.052 flat angles P-C4'-P energy: -72.560 tors. eta vs tors. theta energy: -1.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -627.877221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.877221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.877221 (E_RNA) where: Base-Base interactions energy: -254.651 where: short stacking energy: -199.016 Base-Backbone interact. energy: 0.504 local terms energy: -373.730579 where: bonds (distance) C4'-P energy: -101.650 bonds (distance) P-C4' energy: -120.167 flat angles C4'-P-C4' energy: -121.750 flat angles P-C4'-P energy: -52.091 tors. eta vs tors. theta energy: 21.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2650.611682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.611682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.611682 (E_RNA) where: Base-Base interactions energy: -1840.618 where: short stacking energy: -785.074 Base-Backbone interact. energy: -1.741 local terms energy: -808.253185 where: bonds (distance) C4'-P energy: -163.698 bonds (distance) P-C4' energy: -152.455 flat angles C4'-P-C4' energy: -154.512 flat angles P-C4'-P energy: -110.356 tors. eta vs tors. theta energy: -227.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2486.770879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.770879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.770879 (E_RNA) where: Base-Base interactions energy: -1683.719 where: short stacking energy: -733.735 Base-Backbone interact. energy: -2.053 local terms energy: -800.998325 where: bonds (distance) C4'-P energy: -133.998 bonds (distance) P-C4' energy: -160.947 flat angles C4'-P-C4' energy: -163.401 flat angles P-C4'-P energy: -123.669 tors. eta vs tors. theta energy: -218.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2391.149802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.149802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.149802 (E_RNA) where: Base-Base interactions energy: -1609.788 where: short stacking energy: -728.655 Base-Backbone interact. energy: -5.845 local terms energy: -775.517431 where: bonds (distance) C4'-P energy: -133.316 bonds (distance) P-C4' energy: -147.184 flat angles C4'-P-C4' energy: -180.950 flat angles P-C4'-P energy: -100.400 tors. eta vs tors. theta energy: -213.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2367.908929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.908929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.908929 (E_RNA) where: Base-Base interactions energy: -1656.782 where: short stacking energy: -691.769 Base-Backbone interact. energy: -1.669 local terms energy: -709.457841 where: bonds (distance) C4'-P energy: -123.661 bonds (distance) P-C4' energy: -134.566 flat angles C4'-P-C4' energy: -153.914 flat angles P-C4'-P energy: -102.921 tors. eta vs tors. theta energy: -194.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2109.127904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.127904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.127904 (E_RNA) where: Base-Base interactions energy: -1426.042 where: short stacking energy: -581.366 Base-Backbone interact. energy: 0.505 local terms energy: -683.591094 where: bonds (distance) C4'-P energy: -133.642 bonds (distance) P-C4' energy: -133.032 flat angles C4'-P-C4' energy: -146.251 flat angles P-C4'-P energy: -103.497 tors. eta vs tors. theta energy: -167.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1822.173376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.173376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.173376 (E_RNA) where: Base-Base interactions energy: -1217.480 where: short stacking energy: -545.164 Base-Backbone interact. energy: 3.412 local terms energy: -608.105424 where: bonds (distance) C4'-P energy: -124.532 bonds (distance) P-C4' energy: -123.410 flat angles C4'-P-C4' energy: -138.538 flat angles P-C4'-P energy: -84.661 tors. eta vs tors. theta energy: -136.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1679.367940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.367940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.367940 (E_RNA) where: Base-Base interactions energy: -1115.582 where: short stacking energy: -466.696 Base-Backbone interact. energy: -2.011 local terms energy: -561.775464 where: bonds (distance) C4'-P energy: -119.243 bonds (distance) P-C4' energy: -140.648 flat angles C4'-P-C4' energy: -111.784 flat angles P-C4'-P energy: -94.744 tors. eta vs tors. theta energy: -95.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1467.948141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.948141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.948141 (E_RNA) where: Base-Base interactions energy: -949.325 where: short stacking energy: -397.919 Base-Backbone interact. energy: -2.189 local terms energy: -516.434830 where: bonds (distance) C4'-P energy: -106.893 bonds (distance) P-C4' energy: -123.536 flat angles C4'-P-C4' energy: -134.919 flat angles P-C4'-P energy: -67.809 tors. eta vs tors. theta energy: -83.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -910.678015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.678015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.678015 (E_RNA) where: Base-Base interactions energy: -475.961 where: short stacking energy: -284.734 Base-Backbone interact. energy: -2.844 local terms energy: -431.872534 where: bonds (distance) C4'-P energy: -113.843 bonds (distance) P-C4' energy: -114.447 flat angles C4'-P-C4' energy: -97.034 flat angles P-C4'-P energy: -76.501 tors. eta vs tors. theta energy: -30.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -619.801650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.801650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.801650 (E_RNA) where: Base-Base interactions energy: -258.324 where: short stacking energy: -183.429 Base-Backbone interact. energy: 3.268 local terms energy: -364.746074 where: bonds (distance) C4'-P energy: -116.485 bonds (distance) P-C4' energy: -126.429 flat angles C4'-P-C4' energy: -81.401 flat angles P-C4'-P energy: -69.438 tors. eta vs tors. theta energy: 29.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2672.533325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.533325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.533325 (E_RNA) where: Base-Base interactions energy: -1833.989 where: short stacking energy: -776.946 Base-Backbone interact. energy: -1.332 local terms energy: -837.212197 where: bonds (distance) C4'-P energy: -155.704 bonds (distance) P-C4' energy: -158.406 flat angles C4'-P-C4' energy: -176.652 flat angles P-C4'-P energy: -112.060 tors. eta vs tors. theta energy: -234.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2506.019148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.019148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.019148 (E_RNA) where: Base-Base interactions energy: -1704.551 where: short stacking energy: -751.498 Base-Backbone interact. energy: -4.088 local terms energy: -797.379720 where: bonds (distance) C4'-P energy: -152.586 bonds (distance) P-C4' energy: -135.109 flat angles C4'-P-C4' energy: -174.562 flat angles P-C4'-P energy: -118.201 tors. eta vs tors. theta energy: -216.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2419.902062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.902062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.902062 (E_RNA) where: Base-Base interactions energy: -1636.663 where: short stacking energy: -720.523 Base-Backbone interact. energy: -1.771 local terms energy: -781.467585 where: bonds (distance) C4'-P energy: -136.634 bonds (distance) P-C4' energy: -151.856 flat angles C4'-P-C4' energy: -161.642 flat angles P-C4'-P energy: -109.576 tors. eta vs tors. theta energy: -221.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2361.446562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.446562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.446562 (E_RNA) where: Base-Base interactions energy: -1614.740 where: short stacking energy: -690.401 Base-Backbone interact. energy: -5.210 local terms energy: -741.496631 where: bonds (distance) C4'-P energy: -127.881 bonds (distance) P-C4' energy: -144.665 flat angles C4'-P-C4' energy: -157.078 flat angles P-C4'-P energy: -109.497 tors. eta vs tors. theta energy: -202.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2141.500183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.500183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.500183 (E_RNA) where: Base-Base interactions energy: -1468.975 where: short stacking energy: -647.931 Base-Backbone interact. energy: -1.964 local terms energy: -670.561386 where: bonds (distance) C4'-P energy: -123.278 bonds (distance) P-C4' energy: -118.976 flat angles C4'-P-C4' energy: -159.238 flat angles P-C4'-P energy: -93.773 tors. eta vs tors. theta energy: -175.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1861.370727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.370727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.370727 (E_RNA) where: Base-Base interactions energy: -1237.608 where: short stacking energy: -551.386 Base-Backbone interact. energy: -0.646 local terms energy: -623.117028 where: bonds (distance) C4'-P energy: -115.954 bonds (distance) P-C4' energy: -140.808 flat angles C4'-P-C4' energy: -143.192 flat angles P-C4'-P energy: -87.183 tors. eta vs tors. theta energy: -135.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1773.930076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.930076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.930076 (E_RNA) where: Base-Base interactions energy: -1190.684 where: short stacking energy: -502.534 Base-Backbone interact. energy: -0.697 local terms energy: -582.549108 where: bonds (distance) C4'-P energy: -120.136 bonds (distance) P-C4' energy: -133.817 flat angles C4'-P-C4' energy: -132.266 flat angles P-C4'-P energy: -79.430 tors. eta vs tors. theta energy: -116.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1461.274993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.274993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.274993 (E_RNA) where: Base-Base interactions energy: -958.255 where: short stacking energy: -404.483 Base-Backbone interact. energy: 1.831 local terms energy: -505.100793 where: bonds (distance) C4'-P energy: -127.351 bonds (distance) P-C4' energy: -114.971 flat angles C4'-P-C4' energy: -118.399 flat angles P-C4'-P energy: -67.603 tors. eta vs tors. theta energy: -76.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.250 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -946.858563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.858563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.858563 (E_RNA) where: Base-Base interactions energy: -480.490 where: short stacking energy: -273.955 Base-Backbone interact. energy: -2.319 local terms energy: -464.048725 where: bonds (distance) C4'-P energy: -123.771 bonds (distance) P-C4' energy: -124.869 flat angles C4'-P-C4' energy: -106.419 flat angles P-C4'-P energy: -73.099 tors. eta vs tors. theta energy: -35.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -621.444861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.444861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.444861 (E_RNA) where: Base-Base interactions energy: -261.082 where: short stacking energy: -174.190 Base-Backbone interact. energy: 1.214 local terms energy: -361.576938 where: bonds (distance) C4'-P energy: -109.567 bonds (distance) P-C4' energy: -130.113 flat angles C4'-P-C4' energy: -100.222 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: 20.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2649.279205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.279205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.279205 (E_RNA) where: Base-Base interactions energy: -1865.786 where: short stacking energy: -783.249 Base-Backbone interact. energy: -2.302 local terms energy: -781.191162 where: bonds (distance) C4'-P energy: -138.489 bonds (distance) P-C4' energy: -137.674 flat angles C4'-P-C4' energy: -162.303 flat angles P-C4'-P energy: -112.039 tors. eta vs tors. theta energy: -230.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2493.051367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.051367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.051367 (E_RNA) where: Base-Base interactions energy: -1703.066 where: short stacking energy: -751.723 Base-Backbone interact. energy: -3.635 local terms energy: -786.350210 where: bonds (distance) C4'-P energy: -145.361 bonds (distance) P-C4' energy: -137.889 flat angles C4'-P-C4' energy: -162.625 flat angles P-C4'-P energy: -112.248 tors. eta vs tors. theta energy: -228.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2395.578101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.578101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.578101 (E_RNA) where: Base-Base interactions energy: -1658.759 where: short stacking energy: -734.596 Base-Backbone interact. energy: 0.057 local terms energy: -736.875661 where: bonds (distance) C4'-P energy: -144.099 bonds (distance) P-C4' energy: -123.117 flat angles C4'-P-C4' energy: -146.307 flat angles P-C4'-P energy: -113.427 tors. eta vs tors. theta energy: -209.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2299.867902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.867902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.867902 (E_RNA) where: Base-Base interactions energy: -1578.716 where: short stacking energy: -664.141 Base-Backbone interact. energy: 0.180 local terms energy: -721.331815 where: bonds (distance) C4'-P energy: -139.860 bonds (distance) P-C4' energy: -123.455 flat angles C4'-P-C4' energy: -159.027 flat angles P-C4'-P energy: -100.793 tors. eta vs tors. theta energy: -198.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2130.593686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.593686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.593686 (E_RNA) where: Base-Base interactions energy: -1453.532 where: short stacking energy: -639.466 Base-Backbone interact. energy: -0.987 local terms energy: -676.075318 where: bonds (distance) C4'-P energy: -121.243 bonds (distance) P-C4' energy: -128.805 flat angles C4'-P-C4' energy: -150.024 flat angles P-C4'-P energy: -97.520 tors. eta vs tors. theta energy: -178.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1794.793835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.793835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.793835 (E_RNA) where: Base-Base interactions energy: -1181.337 where: short stacking energy: -543.603 Base-Backbone interact. energy: -1.693 local terms energy: -611.763520 where: bonds (distance) C4'-P energy: -122.737 bonds (distance) P-C4' energy: -131.865 flat angles C4'-P-C4' energy: -136.025 flat angles P-C4'-P energy: -105.733 tors. eta vs tors. theta energy: -115.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1747.680213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.680213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.680213 (E_RNA) where: Base-Base interactions energy: -1149.892 where: short stacking energy: -531.359 Base-Backbone interact. energy: -0.991 local terms energy: -596.797355 where: bonds (distance) C4'-P energy: -127.337 bonds (distance) P-C4' energy: -117.614 flat angles C4'-P-C4' energy: -132.287 flat angles P-C4'-P energy: -95.055 tors. eta vs tors. theta energy: -124.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1478.908213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.908213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.908213 (E_RNA) where: Base-Base interactions energy: -935.585 where: short stacking energy: -415.232 Base-Backbone interact. energy: -4.115 local terms energy: -539.208605 where: bonds (distance) C4'-P energy: -107.232 bonds (distance) P-C4' energy: -137.797 flat angles C4'-P-C4' energy: -119.491 flat angles P-C4'-P energy: -80.383 tors. eta vs tors. theta energy: -94.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -900.234017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.234017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.234017 (E_RNA) where: Base-Base interactions energy: -494.501 where: short stacking energy: -247.352 Base-Backbone interact. energy: -1.078 local terms energy: -404.654527 where: bonds (distance) C4'-P energy: -108.516 bonds (distance) P-C4' energy: -105.101 flat angles C4'-P-C4' energy: -118.459 flat angles P-C4'-P energy: -65.008 tors. eta vs tors. theta energy: -7.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -591.761802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.761802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.761802 (E_RNA) where: Base-Base interactions energy: -257.474 where: short stacking energy: -186.111 Base-Backbone interact. energy: 4.818 local terms energy: -339.106625 where: bonds (distance) C4'-P energy: -126.822 bonds (distance) P-C4' energy: -95.519 flat angles C4'-P-C4' energy: -84.684 flat angles P-C4'-P energy: -48.560 tors. eta vs tors. theta energy: 16.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2655.746819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.746819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.746819 (E_RNA) where: Base-Base interactions energy: -1849.976 where: short stacking energy: -765.145 Base-Backbone interact. energy: -0.591 local terms energy: -805.180414 where: bonds (distance) C4'-P energy: -138.751 bonds (distance) P-C4' energy: -154.604 flat angles C4'-P-C4' energy: -167.604 flat angles P-C4'-P energy: -108.974 tors. eta vs tors. theta energy: -235.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2478.945142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.945142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.945142 (E_RNA) where: Base-Base interactions energy: -1681.512 where: short stacking energy: -739.394 Base-Backbone interact. energy: -0.630 local terms energy: -797.080774 where: bonds (distance) C4'-P energy: -143.900 bonds (distance) P-C4' energy: -144.147 flat angles C4'-P-C4' energy: -164.710 flat angles P-C4'-P energy: -124.501 tors. eta vs tors. theta energy: -219.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.278 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2417.785351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.785351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.785351 (E_RNA) where: Base-Base interactions energy: -1670.901 where: short stacking energy: -711.944 Base-Backbone interact. energy: -3.421 local terms energy: -743.463478 where: bonds (distance) C4'-P energy: -139.337 bonds (distance) P-C4' energy: -129.103 flat angles C4'-P-C4' energy: -159.733 flat angles P-C4'-P energy: -110.104 tors. eta vs tors. theta energy: -205.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2339.436816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.436816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.436816 (E_RNA) where: Base-Base interactions energy: -1630.622 where: short stacking energy: -679.975 Base-Backbone interact. energy: -0.801 local terms energy: -708.013998 where: bonds (distance) C4'-P energy: -130.430 bonds (distance) P-C4' energy: -127.845 flat angles C4'-P-C4' energy: -153.669 flat angles P-C4'-P energy: -96.851 tors. eta vs tors. theta energy: -199.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2135.657156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.657156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.657156 (E_RNA) where: Base-Base interactions energy: -1475.655 where: short stacking energy: -646.107 Base-Backbone interact. energy: -2.759 local terms energy: -657.243632 where: bonds (distance) C4'-P energy: -125.686 bonds (distance) P-C4' energy: -116.828 flat angles C4'-P-C4' energy: -152.076 flat angles P-C4'-P energy: -100.766 tors. eta vs tors. theta energy: -161.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1753.869401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.869401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.869401 (E_RNA) where: Base-Base interactions energy: -1187.171 where: short stacking energy: -518.886 Base-Backbone interact. energy: -1.016 local terms energy: -565.682244 where: bonds (distance) C4'-P energy: -112.590 bonds (distance) P-C4' energy: -130.811 flat angles C4'-P-C4' energy: -129.272 flat angles P-C4'-P energy: -80.652 tors. eta vs tors. theta energy: -112.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1761.089111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.089111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.089111 (E_RNA) where: Base-Base interactions energy: -1183.926 where: short stacking energy: -522.430 Base-Backbone interact. energy: -0.682 local terms energy: -576.481280 where: bonds (distance) C4'-P energy: -105.629 bonds (distance) P-C4' energy: -122.371 flat angles C4'-P-C4' energy: -151.648 flat angles P-C4'-P energy: -76.096 tors. eta vs tors. theta energy: -120.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1503.069406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.069406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.069406 (E_RNA) where: Base-Base interactions energy: -978.055 where: short stacking energy: -414.331 Base-Backbone interact. energy: 0.367 local terms energy: -525.381500 where: bonds (distance) C4'-P energy: -114.442 bonds (distance) P-C4' energy: -108.454 flat angles C4'-P-C4' energy: -121.879 flat angles P-C4'-P energy: -91.572 tors. eta vs tors. theta energy: -89.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -940.956179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.956179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.956179 (E_RNA) where: Base-Base interactions energy: -473.740 where: short stacking energy: -269.800 Base-Backbone interact. energy: 1.000 local terms energy: -468.216591 where: bonds (distance) C4'-P energy: -119.170 bonds (distance) P-C4' energy: -145.868 flat angles C4'-P-C4' energy: -99.246 flat angles P-C4'-P energy: -79.410 tors. eta vs tors. theta energy: -24.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -619.893443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.893443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.893443 (E_RNA) where: Base-Base interactions energy: -261.969 where: short stacking energy: -177.267 Base-Backbone interact. energy: -1.553 local terms energy: -356.371282 where: bonds (distance) C4'-P energy: -121.619 bonds (distance) P-C4' energy: -117.302 flat angles C4'-P-C4' energy: -88.868 flat angles P-C4'-P energy: -58.280 tors. eta vs tors. theta energy: 29.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2648.890040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.890040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.890040 (E_RNA) where: Base-Base interactions energy: -1837.370 where: short stacking energy: -760.363 Base-Backbone interact. energy: -0.806 local terms energy: -810.714042 where: bonds (distance) C4'-P energy: -163.638 bonds (distance) P-C4' energy: -135.473 flat angles C4'-P-C4' energy: -175.792 flat angles P-C4'-P energy: -114.000 tors. eta vs tors. theta energy: -221.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2508.408043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.408043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.408043 (E_RNA) where: Base-Base interactions energy: -1712.940 where: short stacking energy: -753.763 Base-Backbone interact. energy: -3.289 local terms energy: -793.877512 where: bonds (distance) C4'-P energy: -133.693 bonds (distance) P-C4' energy: -155.748 flat angles C4'-P-C4' energy: -158.103 flat angles P-C4'-P energy: -106.548 tors. eta vs tors. theta energy: -239.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.698 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2357.994211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.994211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.994211 (E_RNA) where: Base-Base interactions energy: -1625.490 where: short stacking energy: -709.956 Base-Backbone interact. energy: -0.300 local terms energy: -732.204604 where: bonds (distance) C4'-P energy: -133.437 bonds (distance) P-C4' energy: -137.363 flat angles C4'-P-C4' energy: -167.147 flat angles P-C4'-P energy: -99.091 tors. eta vs tors. theta energy: -195.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2335.056407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.056407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.056407 (E_RNA) where: Base-Base interactions energy: -1599.718 where: short stacking energy: -692.596 Base-Backbone interact. energy: 1.986 local terms energy: -737.324270 where: bonds (distance) C4'-P energy: -135.371 bonds (distance) P-C4' energy: -136.803 flat angles C4'-P-C4' energy: -162.227 flat angles P-C4'-P energy: -101.043 tors. eta vs tors. theta energy: -201.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2103.091453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.091453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.091453 (E_RNA) where: Base-Base interactions energy: -1405.869 where: short stacking energy: -630.486 Base-Backbone interact. energy: -0.795 local terms energy: -696.427179 where: bonds (distance) C4'-P energy: -138.457 bonds (distance) P-C4' energy: -130.560 flat angles C4'-P-C4' energy: -154.504 flat angles P-C4'-P energy: -96.669 tors. eta vs tors. theta energy: -176.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1815.000682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.000682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.000682 (E_RNA) where: Base-Base interactions energy: -1229.594 where: short stacking energy: -542.008 Base-Backbone interact. energy: -1.298 local terms energy: -584.108782 where: bonds (distance) C4'-P energy: -109.162 bonds (distance) P-C4' energy: -113.697 flat angles C4'-P-C4' energy: -128.011 flat angles P-C4'-P energy: -97.141 tors. eta vs tors. theta energy: -136.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1770.269761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.269761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.269761 (E_RNA) where: Base-Base interactions energy: -1170.025 where: short stacking energy: -503.081 Base-Backbone interact. energy: 3.585 local terms energy: -603.830067 where: bonds (distance) C4'-P energy: -118.426 bonds (distance) P-C4' energy: -145.740 flat angles C4'-P-C4' energy: -140.744 flat angles P-C4'-P energy: -74.929 tors. eta vs tors. theta energy: -123.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1506.830786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.830786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.830786 (E_RNA) where: Base-Base interactions energy: -959.714 where: short stacking energy: -438.962 Base-Backbone interact. energy: -1.774 local terms energy: -545.342959 where: bonds (distance) C4'-P energy: -109.278 bonds (distance) P-C4' energy: -150.019 flat angles C4'-P-C4' energy: -135.846 flat angles P-C4'-P energy: -66.684 tors. eta vs tors. theta energy: -83.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -888.157956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.157956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.157956 (E_RNA) where: Base-Base interactions energy: -472.753 where: short stacking energy: -262.705 Base-Backbone interact. energy: -1.201 local terms energy: -414.203951 where: bonds (distance) C4'-P energy: -116.253 bonds (distance) P-C4' energy: -134.987 flat angles C4'-P-C4' energy: -103.700 flat angles P-C4'-P energy: -55.347 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -673.886972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.886972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.886972 (E_RNA) where: Base-Base interactions energy: -291.369 where: short stacking energy: -204.794 Base-Backbone interact. energy: 5.659 local terms energy: -388.177615 where: bonds (distance) C4'-P energy: -102.948 bonds (distance) P-C4' energy: -137.315 flat angles C4'-P-C4' energy: -86.476 flat angles P-C4'-P energy: -65.064 tors. eta vs tors. theta energy: 3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2687.097303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.097303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.097303 (E_RNA) where: Base-Base interactions energy: -1875.863 where: short stacking energy: -770.178 Base-Backbone interact. energy: -2.974 local terms energy: -808.260575 where: bonds (distance) C4'-P energy: -157.073 bonds (distance) P-C4' energy: -140.091 flat angles C4'-P-C4' energy: -177.143 flat angles P-C4'-P energy: -115.749 tors. eta vs tors. theta energy: -218.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2556.021395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.021395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.021395 (E_RNA) where: Base-Base interactions energy: -1743.063 where: short stacking energy: -778.081 Base-Backbone interact. energy: -4.816 local terms energy: -808.142549 where: bonds (distance) C4'-P energy: -147.671 bonds (distance) P-C4' energy: -157.356 flat angles C4'-P-C4' energy: -173.270 flat angles P-C4'-P energy: -95.718 tors. eta vs tors. theta energy: -234.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2425.581933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.581933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.581933 (E_RNA) where: Base-Base interactions energy: -1686.957 where: short stacking energy: -698.604 Base-Backbone interact. energy: 2.320 local terms energy: -740.944994 where: bonds (distance) C4'-P energy: -135.955 bonds (distance) P-C4' energy: -147.783 flat angles C4'-P-C4' energy: -157.189 flat angles P-C4'-P energy: -99.533 tors. eta vs tors. theta energy: -200.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2310.807185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.807185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.807185 (E_RNA) where: Base-Base interactions energy: -1581.490 where: short stacking energy: -673.169 Base-Backbone interact. energy: -0.229 local terms energy: -729.088332 where: bonds (distance) C4'-P energy: -127.899 bonds (distance) P-C4' energy: -140.382 flat angles C4'-P-C4' energy: -153.266 flat angles P-C4'-P energy: -100.381 tors. eta vs tors. theta energy: -207.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2071.739506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.739506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.739506 (E_RNA) where: Base-Base interactions energy: -1414.678 where: short stacking energy: -637.343 Base-Backbone interact. energy: -2.874 local terms energy: -654.187681 where: bonds (distance) C4'-P energy: -134.233 bonds (distance) P-C4' energy: -132.050 flat angles C4'-P-C4' energy: -129.658 flat angles P-C4'-P energy: -80.853 tors. eta vs tors. theta energy: -177.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1826.660630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.660630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.660630 (E_RNA) where: Base-Base interactions energy: -1175.596 where: short stacking energy: -523.413 Base-Backbone interact. energy: -2.049 local terms energy: -649.015686 where: bonds (distance) C4'-P energy: -128.105 bonds (distance) P-C4' energy: -140.826 flat angles C4'-P-C4' energy: -155.985 flat angles P-C4'-P energy: -90.235 tors. eta vs tors. theta energy: -133.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1765.631539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.631539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.631539 (E_RNA) where: Base-Base interactions energy: -1151.965 where: short stacking energy: -523.572 Base-Backbone interact. energy: -0.630 local terms energy: -613.037164 where: bonds (distance) C4'-P energy: -129.414 bonds (distance) P-C4' energy: -129.709 flat angles C4'-P-C4' energy: -133.325 flat angles P-C4'-P energy: -90.573 tors. eta vs tors. theta energy: -130.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1484.814058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.814058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.814058 (E_RNA) where: Base-Base interactions energy: -950.301 where: short stacking energy: -433.912 Base-Backbone interact. energy: 1.944 local terms energy: -536.456381 where: bonds (distance) C4'-P energy: -110.581 bonds (distance) P-C4' energy: -133.351 flat angles C4'-P-C4' energy: -124.387 flat angles P-C4'-P energy: -91.128 tors. eta vs tors. theta energy: -77.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -903.271037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.271037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.271037 (E_RNA) where: Base-Base interactions energy: -491.838 where: short stacking energy: -281.506 Base-Backbone interact. energy: -1.543 local terms energy: -409.890258 where: bonds (distance) C4'-P energy: -97.171 bonds (distance) P-C4' energy: -111.477 flat angles C4'-P-C4' energy: -123.325 flat angles P-C4'-P energy: -62.471 tors. eta vs tors. theta energy: -15.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -741.364983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.364983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.364983 (E_RNA) where: Base-Base interactions energy: -334.635 where: short stacking energy: -197.274 Base-Backbone interact. energy: 2.538 local terms energy: -409.268173 where: bonds (distance) C4'-P energy: -128.519 bonds (distance) P-C4' energy: -126.504 flat angles C4'-P-C4' energy: -102.043 flat angles P-C4'-P energy: -66.340 tors. eta vs tors. theta energy: 14.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2687.732718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.732718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.732718 (E_RNA) where: Base-Base interactions energy: -1880.201 where: short stacking energy: -770.370 Base-Backbone interact. energy: 0.718 local terms energy: -808.249548 where: bonds (distance) C4'-P energy: -148.642 bonds (distance) P-C4' energy: -152.851 flat angles C4'-P-C4' energy: -170.947 flat angles P-C4'-P energy: -107.957 tors. eta vs tors. theta energy: -227.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2504.802991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.802991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.802991 (E_RNA) where: Base-Base interactions energy: -1706.415 where: short stacking energy: -773.526 Base-Backbone interact. energy: -2.699 local terms energy: -795.688867 where: bonds (distance) C4'-P energy: -149.650 bonds (distance) P-C4' energy: -146.811 flat angles C4'-P-C4' energy: -174.869 flat angles P-C4'-P energy: -99.892 tors. eta vs tors. theta energy: -224.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2437.308017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.308017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.308017 (E_RNA) where: Base-Base interactions energy: -1682.344 where: short stacking energy: -717.187 Base-Backbone interact. energy: -1.586 local terms energy: -753.377695 where: bonds (distance) C4'-P energy: -132.893 bonds (distance) P-C4' energy: -146.565 flat angles C4'-P-C4' energy: -158.617 flat angles P-C4'-P energy: -120.196 tors. eta vs tors. theta energy: -195.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2278.636745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.636745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.636745 (E_RNA) where: Base-Base interactions energy: -1581.924 where: short stacking energy: -682.033 Base-Backbone interact. energy: -1.518 local terms energy: -695.194132 where: bonds (distance) C4'-P energy: -131.229 bonds (distance) P-C4' energy: -122.425 flat angles C4'-P-C4' energy: -148.331 flat angles P-C4'-P energy: -97.983 tors. eta vs tors. theta energy: -195.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2062.770292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.770292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.770292 (E_RNA) where: Base-Base interactions energy: -1403.347 where: short stacking energy: -611.501 Base-Backbone interact. energy: -3.382 local terms energy: -656.041062 where: bonds (distance) C4'-P energy: -116.548 bonds (distance) P-C4' energy: -120.147 flat angles C4'-P-C4' energy: -149.204 flat angles P-C4'-P energy: -103.036 tors. eta vs tors. theta energy: -167.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1834.762118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.762118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.762118 (E_RNA) where: Base-Base interactions energy: -1174.359 where: short stacking energy: -526.740 Base-Backbone interact. energy: -3.089 local terms energy: -657.313626 where: bonds (distance) C4'-P energy: -137.993 bonds (distance) P-C4' energy: -150.577 flat angles C4'-P-C4' energy: -136.256 flat angles P-C4'-P energy: -99.552 tors. eta vs tors. theta energy: -132.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1729.202167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.202167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.202167 (E_RNA) where: Base-Base interactions energy: -1146.883 where: short stacking energy: -512.084 Base-Backbone interact. energy: -1.898 local terms energy: -580.421504 where: bonds (distance) C4'-P energy: -132.372 bonds (distance) P-C4' energy: -107.527 flat angles C4'-P-C4' energy: -129.550 flat angles P-C4'-P energy: -73.928 tors. eta vs tors. theta energy: -137.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1424.343999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.343999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.343999 (E_RNA) where: Base-Base interactions energy: -876.052 where: short stacking energy: -409.502 Base-Backbone interact. energy: -4.499 local terms energy: -543.793137 where: bonds (distance) C4'-P energy: -129.228 bonds (distance) P-C4' energy: -150.169 flat angles C4'-P-C4' energy: -124.439 flat angles P-C4'-P energy: -73.553 tors. eta vs tors. theta energy: -66.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -931.693033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.693033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.693033 (E_RNA) where: Base-Base interactions energy: -534.914 where: short stacking energy: -293.414 Base-Backbone interact. energy: 0.011 local terms energy: -396.790630 where: bonds (distance) C4'-P energy: -101.610 bonds (distance) P-C4' energy: -119.495 flat angles C4'-P-C4' energy: -93.036 flat angles P-C4'-P energy: -58.379 tors. eta vs tors. theta energy: -24.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -690.739043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.739043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.739043 (E_RNA) where: Base-Base interactions energy: -338.413 where: short stacking energy: -215.141 Base-Backbone interact. energy: -0.807 local terms energy: -351.518940 where: bonds (distance) C4'-P energy: -119.416 bonds (distance) P-C4' energy: -105.561 flat angles C4'-P-C4' energy: -77.141 flat angles P-C4'-P energy: -74.815 tors. eta vs tors. theta energy: 25.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2639.897397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.897397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.897397 (E_RNA) where: Base-Base interactions energy: -1829.855 where: short stacking energy: -757.559 Base-Backbone interact. energy: -2.181 local terms energy: -807.861951 where: bonds (distance) C4'-P energy: -143.368 bonds (distance) P-C4' energy: -142.589 flat angles C4'-P-C4' energy: -164.090 flat angles P-C4'-P energy: -125.350 tors. eta vs tors. theta energy: -232.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2485.416644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.416644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.416644 (E_RNA) where: Base-Base interactions energy: -1694.524 where: short stacking energy: -762.655 Base-Backbone interact. energy: -1.179 local terms energy: -789.714327 where: bonds (distance) C4'-P energy: -132.895 bonds (distance) P-C4' energy: -149.901 flat angles C4'-P-C4' energy: -175.257 flat angles P-C4'-P energy: -111.354 tors. eta vs tors. theta energy: -220.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2463.818297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.818297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.818297 (E_RNA) where: Base-Base interactions energy: -1706.224 where: short stacking energy: -694.084 Base-Backbone interact. energy: -1.530 local terms energy: -756.064170 where: bonds (distance) C4'-P energy: -144.540 bonds (distance) P-C4' energy: -136.050 flat angles C4'-P-C4' energy: -162.730 flat angles P-C4'-P energy: -115.951 tors. eta vs tors. theta energy: -196.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2282.473005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.473005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.473005 (E_RNA) where: Base-Base interactions energy: -1558.452 where: short stacking energy: -664.958 Base-Backbone interact. energy: -2.365 local terms energy: -721.655912 where: bonds (distance) C4'-P energy: -131.482 bonds (distance) P-C4' energy: -127.009 flat angles C4'-P-C4' energy: -163.470 flat angles P-C4'-P energy: -101.850 tors. eta vs tors. theta energy: -197.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2062.109746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.109746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.109746 (E_RNA) where: Base-Base interactions energy: -1389.409 where: short stacking energy: -607.160 Base-Backbone interact. energy: -2.015 local terms energy: -670.686449 where: bonds (distance) C4'-P energy: -133.650 bonds (distance) P-C4' energy: -137.370 flat angles C4'-P-C4' energy: -137.620 flat angles P-C4'-P energy: -99.695 tors. eta vs tors. theta energy: -162.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1776.769634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.769634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.769634 (E_RNA) where: Base-Base interactions energy: -1166.483 where: short stacking energy: -488.098 Base-Backbone interact. energy: -3.967 local terms energy: -606.319709 where: bonds (distance) C4'-P energy: -129.484 bonds (distance) P-C4' energy: -133.193 flat angles C4'-P-C4' energy: -135.805 flat angles P-C4'-P energy: -87.338 tors. eta vs tors. theta energy: -120.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1734.884455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.884455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.884455 (E_RNA) where: Base-Base interactions energy: -1134.996 where: short stacking energy: -470.680 Base-Backbone interact. energy: -3.235 local terms energy: -596.653526 where: bonds (distance) C4'-P energy: -127.863 bonds (distance) P-C4' energy: -136.843 flat angles C4'-P-C4' energy: -143.636 flat angles P-C4'-P energy: -85.482 tors. eta vs tors. theta energy: -102.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1457.660141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.660141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.660141 (E_RNA) where: Base-Base interactions energy: -941.162 where: short stacking energy: -423.741 Base-Backbone interact. energy: -2.179 local terms energy: -514.319698 where: bonds (distance) C4'-P energy: -129.228 bonds (distance) P-C4' energy: -123.664 flat angles C4'-P-C4' energy: -125.522 flat angles P-C4'-P energy: -54.859 tors. eta vs tors. theta energy: -81.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1004.001679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.001679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.001679 (E_RNA) where: Base-Base interactions energy: -573.116 where: short stacking energy: -288.738 Base-Backbone interact. energy: 3.726 local terms energy: -434.611708 where: bonds (distance) C4'-P energy: -113.751 bonds (distance) P-C4' energy: -116.046 flat angles C4'-P-C4' energy: -117.875 flat angles P-C4'-P energy: -77.697 tors. eta vs tors. theta energy: -9.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -687.683053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.683053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.683053 (E_RNA) where: Base-Base interactions energy: -316.719 where: short stacking energy: -194.985 Base-Backbone interact. energy: 11.132 local terms energy: -382.096187 where: bonds (distance) C4'-P energy: -128.707 bonds (distance) P-C4' energy: -112.059 flat angles C4'-P-C4' energy: -89.321 flat angles P-C4'-P energy: -68.332 tors. eta vs tors. theta energy: 16.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2679.223588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.223588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.223588 (E_RNA) where: Base-Base interactions energy: -1868.129 where: short stacking energy: -781.597 Base-Backbone interact. energy: -0.004 local terms energy: -811.185568 where: bonds (distance) C4'-P energy: -142.834 bonds (distance) P-C4' energy: -155.506 flat angles C4'-P-C4' energy: -174.666 flat angles P-C4'-P energy: -109.091 tors. eta vs tors. theta energy: -229.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.095 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2475.789705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.789705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.789705 (E_RNA) where: Base-Base interactions energy: -1691.949 where: short stacking energy: -736.722 Base-Backbone interact. energy: -3.001 local terms energy: -780.839297 where: bonds (distance) C4'-P energy: -133.726 bonds (distance) P-C4' energy: -143.177 flat angles C4'-P-C4' energy: -169.899 flat angles P-C4'-P energy: -105.464 tors. eta vs tors. theta energy: -228.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2431.308481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.308481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.308481 (E_RNA) where: Base-Base interactions energy: -1667.707 where: short stacking energy: -701.099 Base-Backbone interact. energy: -1.062 local terms energy: -762.539981 where: bonds (distance) C4'-P energy: -158.650 bonds (distance) P-C4' energy: -123.377 flat angles C4'-P-C4' energy: -163.734 flat angles P-C4'-P energy: -119.088 tors. eta vs tors. theta energy: -197.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2335.496542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.496542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.496542 (E_RNA) where: Base-Base interactions energy: -1598.699 where: short stacking energy: -673.630 Base-Backbone interact. energy: 8.822 local terms energy: -745.619578 where: bonds (distance) C4'-P energy: -150.456 bonds (distance) P-C4' energy: -117.218 flat angles C4'-P-C4' energy: -165.850 flat angles P-C4'-P energy: -116.226 tors. eta vs tors. theta energy: -195.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2058.764961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.764961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.764961 (E_RNA) where: Base-Base interactions energy: -1411.709 where: short stacking energy: -604.083 Base-Backbone interact. energy: -2.345 local terms energy: -644.710697 where: bonds (distance) C4'-P energy: -113.547 bonds (distance) P-C4' energy: -135.848 flat angles C4'-P-C4' energy: -146.056 flat angles P-C4'-P energy: -96.771 tors. eta vs tors. theta energy: -152.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1825.272162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.272162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.272162 (E_RNA) where: Base-Base interactions energy: -1209.453 where: short stacking energy: -541.558 Base-Backbone interact. energy: -3.104 local terms energy: -612.715401 where: bonds (distance) C4'-P energy: -106.712 bonds (distance) P-C4' energy: -126.312 flat angles C4'-P-C4' energy: -151.641 flat angles P-C4'-P energy: -97.676 tors. eta vs tors. theta energy: -130.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1709.836108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.836108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.836108 (E_RNA) where: Base-Base interactions energy: -1100.754 where: short stacking energy: -510.930 Base-Backbone interact. energy: -3.016 local terms energy: -606.065927 where: bonds (distance) C4'-P energy: -119.846 bonds (distance) P-C4' energy: -130.693 flat angles C4'-P-C4' energy: -131.351 flat angles P-C4'-P energy: -89.980 tors. eta vs tors. theta energy: -134.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1376.136100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.136100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.136100 (E_RNA) where: Base-Base interactions energy: -865.019 where: short stacking energy: -386.781 Base-Backbone interact. energy: -0.601 local terms energy: -510.515783 where: bonds (distance) C4'-P energy: -123.926 bonds (distance) P-C4' energy: -117.174 flat angles C4'-P-C4' energy: -137.015 flat angles P-C4'-P energy: -70.382 tors. eta vs tors. theta energy: -62.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1016.163187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.163187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.163187 (E_RNA) where: Base-Base interactions energy: -562.964 where: short stacking energy: -291.228 Base-Backbone interact. energy: 3.241 local terms energy: -456.439595 where: bonds (distance) C4'-P energy: -124.302 bonds (distance) P-C4' energy: -115.529 flat angles C4'-P-C4' energy: -115.866 flat angles P-C4'-P energy: -76.564 tors. eta vs tors. theta energy: -24.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -677.444751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.444751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.444751 (E_RNA) where: Base-Base interactions energy: -322.424 where: short stacking energy: -197.104 Base-Backbone interact. energy: 3.006 local terms energy: -358.026849 where: bonds (distance) C4'-P energy: -109.245 bonds (distance) P-C4' energy: -116.168 flat angles C4'-P-C4' energy: -97.019 flat angles P-C4'-P energy: -54.664 tors. eta vs tors. theta energy: 19.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2697.089864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.089864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.089864 (E_RNA) where: Base-Base interactions energy: -1894.158 where: short stacking energy: -793.876 Base-Backbone interact. energy: -2.787 local terms energy: -800.144303 where: bonds (distance) C4'-P energy: -132.515 bonds (distance) P-C4' energy: -149.963 flat angles C4'-P-C4' energy: -168.942 flat angles P-C4'-P energy: -113.048 tors. eta vs tors. theta energy: -235.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2485.590163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.590163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.590163 (E_RNA) where: Base-Base interactions energy: -1723.829 where: short stacking energy: -750.201 Base-Backbone interact. energy: -2.188 local terms energy: -759.572796 where: bonds (distance) C4'-P energy: -130.506 bonds (distance) P-C4' energy: -137.900 flat angles C4'-P-C4' energy: -171.019 flat angles P-C4'-P energy: -101.801 tors. eta vs tors. theta energy: -218.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2405.663950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.663950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.663950 (E_RNA) where: Base-Base interactions energy: -1647.955 where: short stacking energy: -710.930 Base-Backbone interact. energy: 0.797 local terms energy: -758.505931 where: bonds (distance) C4'-P energy: -141.322 bonds (distance) P-C4' energy: -150.287 flat angles C4'-P-C4' energy: -151.229 flat angles P-C4'-P energy: -112.395 tors. eta vs tors. theta energy: -203.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2308.289009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.289009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.289009 (E_RNA) where: Base-Base interactions energy: -1575.385 where: short stacking energy: -648.440 Base-Backbone interact. energy: -3.815 local terms energy: -729.089068 where: bonds (distance) C4'-P energy: -132.949 bonds (distance) P-C4' energy: -138.584 flat angles C4'-P-C4' energy: -165.666 flat angles P-C4'-P energy: -93.044 tors. eta vs tors. theta energy: -198.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2128.467369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.467369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.467369 (E_RNA) where: Base-Base interactions energy: -1446.014 where: short stacking energy: -626.460 Base-Backbone interact. energy: -0.517 local terms energy: -681.936266 where: bonds (distance) C4'-P energy: -118.054 bonds (distance) P-C4' energy: -141.530 flat angles C4'-P-C4' energy: -150.452 flat angles P-C4'-P energy: -103.323 tors. eta vs tors. theta energy: -168.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1831.476045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.476045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.476045 (E_RNA) where: Base-Base interactions energy: -1237.904 where: short stacking energy: -556.811 Base-Backbone interact. energy: 0.277 local terms energy: -593.848695 where: bonds (distance) C4'-P energy: -99.938 bonds (distance) P-C4' energy: -134.722 flat angles C4'-P-C4' energy: -137.897 flat angles P-C4'-P energy: -93.381 tors. eta vs tors. theta energy: -127.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1630.880150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.880150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.880150 (E_RNA) where: Base-Base interactions energy: -1051.133 where: short stacking energy: -486.365 Base-Backbone interact. energy: 0.332 local terms energy: -580.079641 where: bonds (distance) C4'-P energy: -108.505 bonds (distance) P-C4' energy: -134.314 flat angles C4'-P-C4' energy: -142.317 flat angles P-C4'-P energy: -75.109 tors. eta vs tors. theta energy: -119.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1340.201802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.201802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.201802 (E_RNA) where: Base-Base interactions energy: -816.616 where: short stacking energy: -353.394 Base-Backbone interact. energy: -6.362 local terms energy: -517.223242 where: bonds (distance) C4'-P energy: -130.490 bonds (distance) P-C4' energy: -141.645 flat angles C4'-P-C4' energy: -104.556 flat angles P-C4'-P energy: -74.265 tors. eta vs tors. theta energy: -66.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1001.498153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.498153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.498153 (E_RNA) where: Base-Base interactions energy: -562.716 where: short stacking energy: -291.648 Base-Backbone interact. energy: 9.481 local terms energy: -448.263637 where: bonds (distance) C4'-P energy: -112.700 bonds (distance) P-C4' energy: -115.180 flat angles C4'-P-C4' energy: -124.949 flat angles P-C4'-P energy: -60.530 tors. eta vs tors. theta energy: -34.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -689.213166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.213166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.213166 (E_RNA) where: Base-Base interactions energy: -314.208 where: short stacking energy: -195.315 Base-Backbone interact. energy: 13.277 local terms energy: -388.282194 where: bonds (distance) C4'-P energy: -110.591 bonds (distance) P-C4' energy: -123.053 flat angles C4'-P-C4' energy: -86.622 flat angles P-C4'-P energy: -77.916 tors. eta vs tors. theta energy: 9.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2675.561066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.561066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.561066 (E_RNA) where: Base-Base interactions energy: -1865.799 where: short stacking energy: -793.297 Base-Backbone interact. energy: -3.003 local terms energy: -806.758698 where: bonds (distance) C4'-P energy: -160.240 bonds (distance) P-C4' energy: -150.109 flat angles C4'-P-C4' energy: -167.657 flat angles P-C4'-P energy: -105.914 tors. eta vs tors. theta energy: -222.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2539.132515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.132515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.132515 (E_RNA) where: Base-Base interactions energy: -1757.906 where: short stacking energy: -763.189 Base-Backbone interact. energy: -2.450 local terms energy: -778.776249 where: bonds (distance) C4'-P energy: -152.260 bonds (distance) P-C4' energy: -141.820 flat angles C4'-P-C4' energy: -159.106 flat angles P-C4'-P energy: -106.484 tors. eta vs tors. theta energy: -219.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2450.903125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.903125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.903125 (E_RNA) where: Base-Base interactions energy: -1694.595 where: short stacking energy: -734.859 Base-Backbone interact. energy: -0.754 local terms energy: -755.553674 where: bonds (distance) C4'-P energy: -128.808 bonds (distance) P-C4' energy: -141.994 flat angles C4'-P-C4' energy: -167.457 flat angles P-C4'-P energy: -107.475 tors. eta vs tors. theta energy: -209.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2306.134698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.134698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.134698 (E_RNA) where: Base-Base interactions energy: -1562.691 where: short stacking energy: -680.904 Base-Backbone interact. energy: -1.862 local terms energy: -741.581856 where: bonds (distance) C4'-P energy: -131.879 bonds (distance) P-C4' energy: -140.173 flat angles C4'-P-C4' energy: -168.531 flat angles P-C4'-P energy: -96.177 tors. eta vs tors. theta energy: -204.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2158.992200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.992200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.992200 (E_RNA) where: Base-Base interactions energy: -1473.369 where: short stacking energy: -618.160 Base-Backbone interact. energy: 1.531 local terms energy: -687.154575 where: bonds (distance) C4'-P energy: -132.733 bonds (distance) P-C4' energy: -147.139 flat angles C4'-P-C4' energy: -150.660 flat angles P-C4'-P energy: -92.611 tors. eta vs tors. theta energy: -164.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1866.020292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.020292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.020292 (E_RNA) where: Base-Base interactions energy: -1225.759 where: short stacking energy: -538.214 Base-Backbone interact. energy: -4.385 local terms energy: -635.876641 where: bonds (distance) C4'-P energy: -127.606 bonds (distance) P-C4' energy: -137.408 flat angles C4'-P-C4' energy: -143.463 flat angles P-C4'-P energy: -101.328 tors. eta vs tors. theta energy: -126.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1684.487901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.487901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.487901 (E_RNA) where: Base-Base interactions energy: -1027.640 where: short stacking energy: -507.865 Base-Backbone interact. energy: -3.623 local terms energy: -653.224985 where: bonds (distance) C4'-P energy: -147.049 bonds (distance) P-C4' energy: -128.643 flat angles C4'-P-C4' energy: -147.514 flat angles P-C4'-P energy: -97.025 tors. eta vs tors. theta energy: -132.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1421.900406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.900406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.900406 (E_RNA) where: Base-Base interactions energy: -888.410 where: short stacking energy: -398.852 Base-Backbone interact. energy: 2.202 local terms energy: -535.692551 where: bonds (distance) C4'-P energy: -137.059 bonds (distance) P-C4' energy: -100.916 flat angles C4'-P-C4' energy: -132.183 flat angles P-C4'-P energy: -72.608 tors. eta vs tors. theta energy: -92.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -958.906684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.906684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.906684 (E_RNA) where: Base-Base interactions energy: -549.837 where: short stacking energy: -273.681 Base-Backbone interact. energy: 5.801 local terms energy: -414.870044 where: bonds (distance) C4'-P energy: -106.156 bonds (distance) P-C4' energy: -113.867 flat angles C4'-P-C4' energy: -117.556 flat angles P-C4'-P energy: -65.921 tors. eta vs tors. theta energy: -11.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -686.916236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.916236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.916236 (E_RNA) where: Base-Base interactions energy: -322.987 where: short stacking energy: -198.661 Base-Backbone interact. energy: 3.891 local terms energy: -367.819789 where: bonds (distance) C4'-P energy: -110.221 bonds (distance) P-C4' energy: -119.172 flat angles C4'-P-C4' energy: -94.801 flat angles P-C4'-P energy: -52.435 tors. eta vs tors. theta energy: 8.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2681.285361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.285361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.285361 (E_RNA) where: Base-Base interactions energy: -1876.156 where: short stacking energy: -798.382 Base-Backbone interact. energy: -4.244 local terms energy: -800.885036 where: bonds (distance) C4'-P energy: -137.342 bonds (distance) P-C4' energy: -155.179 flat angles C4'-P-C4' energy: -171.930 flat angles P-C4'-P energy: -109.174 tors. eta vs tors. theta energy: -227.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2530.688374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.688374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.688374 (E_RNA) where: Base-Base interactions energy: -1707.166 where: short stacking energy: -756.810 Base-Backbone interact. energy: -3.069 local terms energy: -820.453945 where: bonds (distance) C4'-P energy: -146.846 bonds (distance) P-C4' energy: -155.554 flat angles C4'-P-C4' energy: -182.638 flat angles P-C4'-P energy: -119.349 tors. eta vs tors. theta energy: -216.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2421.481969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.481969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.481969 (E_RNA) where: Base-Base interactions energy: -1697.713 where: short stacking energy: -724.360 Base-Backbone interact. energy: 1.031 local terms energy: -724.799311 where: bonds (distance) C4'-P energy: -139.506 bonds (distance) P-C4' energy: -131.383 flat angles C4'-P-C4' energy: -146.126 flat angles P-C4'-P energy: -96.228 tors. eta vs tors. theta energy: -211.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2336.746752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.746752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.746752 (E_RNA) where: Base-Base interactions energy: -1598.094 where: short stacking energy: -697.279 Base-Backbone interact. energy: -2.186 local terms energy: -736.466288 where: bonds (distance) C4'-P energy: -126.683 bonds (distance) P-C4' energy: -146.236 flat angles C4'-P-C4' energy: -161.080 flat angles P-C4'-P energy: -95.694 tors. eta vs tors. theta energy: -206.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2100.226036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.226036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.226036 (E_RNA) where: Base-Base interactions energy: -1415.430 where: short stacking energy: -621.686 Base-Backbone interact. energy: -1.974 local terms energy: -682.821932 where: bonds (distance) C4'-P energy: -136.263 bonds (distance) P-C4' energy: -124.800 flat angles C4'-P-C4' energy: -150.826 flat angles P-C4'-P energy: -103.358 tors. eta vs tors. theta energy: -167.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1816.954389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.954389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.954389 (E_RNA) where: Base-Base interactions energy: -1218.764 where: short stacking energy: -525.769 Base-Backbone interact. energy: -1.405 local terms energy: -596.784999 where: bonds (distance) C4'-P energy: -111.350 bonds (distance) P-C4' energy: -135.187 flat angles C4'-P-C4' energy: -132.216 flat angles P-C4'-P energy: -90.217 tors. eta vs tors. theta energy: -127.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1589.811989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.811989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.811989 (E_RNA) where: Base-Base interactions energy: -1021.490 where: short stacking energy: -461.108 Base-Backbone interact. energy: 4.166 local terms energy: -572.488080 where: bonds (distance) C4'-P energy: -135.911 bonds (distance) P-C4' energy: -113.711 flat angles C4'-P-C4' energy: -123.994 flat angles P-C4'-P energy: -96.080 tors. eta vs tors. theta energy: -102.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1288.598965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.598965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.598965 (E_RNA) where: Base-Base interactions energy: -826.418 where: short stacking energy: -366.514 Base-Backbone interact. energy: 1.932 local terms energy: -464.112817 where: bonds (distance) C4'-P energy: -103.046 bonds (distance) P-C4' energy: -123.939 flat angles C4'-P-C4' energy: -118.121 flat angles P-C4'-P energy: -65.635 tors. eta vs tors. theta energy: -53.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -925.023121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.023121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.023121 (E_RNA) where: Base-Base interactions energy: -485.381 where: short stacking energy: -262.777 Base-Backbone interact. energy: -1.554 local terms energy: -438.088060 where: bonds (distance) C4'-P energy: -117.872 bonds (distance) P-C4' energy: -121.236 flat angles C4'-P-C4' energy: -110.345 flat angles P-C4'-P energy: -60.411 tors. eta vs tors. theta energy: -28.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -728.716545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.716545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.716545 (E_RNA) where: Base-Base interactions energy: -302.247 where: short stacking energy: -185.262 Base-Backbone interact. energy: -1.440 local terms energy: -425.030108 where: bonds (distance) C4'-P energy: -135.899 bonds (distance) P-C4' energy: -132.601 flat angles C4'-P-C4' energy: -119.932 flat angles P-C4'-P energy: -44.381 tors. eta vs tors. theta energy: 7.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2668.429104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.429104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.429104 (E_RNA) where: Base-Base interactions energy: -1894.187 where: short stacking energy: -775.874 Base-Backbone interact. energy: -2.069 local terms energy: -772.173232 where: bonds (distance) C4'-P energy: -132.638 bonds (distance) P-C4' energy: -150.636 flat angles C4'-P-C4' energy: -163.202 flat angles P-C4'-P energy: -116.217 tors. eta vs tors. theta energy: -209.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2492.456566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.456566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.456566 (E_RNA) where: Base-Base interactions energy: -1683.469 where: short stacking energy: -747.218 Base-Backbone interact. energy: -3.890 local terms energy: -805.098345 where: bonds (distance) C4'-P energy: -145.337 bonds (distance) P-C4' energy: -152.888 flat angles C4'-P-C4' energy: -167.197 flat angles P-C4'-P energy: -120.005 tors. eta vs tors. theta energy: -219.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2392.908716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.908716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.908716 (E_RNA) where: Base-Base interactions energy: -1638.933 where: short stacking energy: -692.424 Base-Backbone interact. energy: -2.062 local terms energy: -751.913805 where: bonds (distance) C4'-P energy: -146.681 bonds (distance) P-C4' energy: -146.166 flat angles C4'-P-C4' energy: -157.140 flat angles P-C4'-P energy: -104.410 tors. eta vs tors. theta energy: -197.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2301.169889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.169889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.169889 (E_RNA) where: Base-Base interactions energy: -1580.622 where: short stacking energy: -653.514 Base-Backbone interact. energy: 1.676 local terms energy: -722.223889 where: bonds (distance) C4'-P energy: -143.023 bonds (distance) P-C4' energy: -139.105 flat angles C4'-P-C4' energy: -148.170 flat angles P-C4'-P energy: -96.879 tors. eta vs tors. theta energy: -195.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2163.637599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.637599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.637599 (E_RNA) where: Base-Base interactions energy: -1465.150 where: short stacking energy: -641.749 Base-Backbone interact. energy: 1.023 local terms energy: -699.510246 where: bonds (distance) C4'-P energy: -118.534 bonds (distance) P-C4' energy: -148.912 flat angles C4'-P-C4' energy: -149.482 flat angles P-C4'-P energy: -98.979 tors. eta vs tors. theta energy: -183.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1785.680110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.680110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.680110 (E_RNA) where: Base-Base interactions energy: -1193.139 where: short stacking energy: -529.911 Base-Backbone interact. energy: -3.700 local terms energy: -588.841423 where: bonds (distance) C4'-P energy: -126.151 bonds (distance) P-C4' energy: -131.128 flat angles C4'-P-C4' energy: -129.255 flat angles P-C4'-P energy: -80.492 tors. eta vs tors. theta energy: -121.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1595.158720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.158720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.158720 (E_RNA) where: Base-Base interactions energy: -1039.475 where: short stacking energy: -496.355 Base-Backbone interact. energy: 1.235 local terms energy: -556.918776 where: bonds (distance) C4'-P energy: -113.294 bonds (distance) P-C4' energy: -130.582 flat angles C4'-P-C4' energy: -124.777 flat angles P-C4'-P energy: -79.002 tors. eta vs tors. theta energy: -109.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1346.075278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.075278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.075278 (E_RNA) where: Base-Base interactions energy: -830.776 where: short stacking energy: -402.405 Base-Backbone interact. energy: 1.644 local terms energy: -516.943744 where: bonds (distance) C4'-P energy: -114.451 bonds (distance) P-C4' energy: -143.513 flat angles C4'-P-C4' energy: -109.461 flat angles P-C4'-P energy: -77.521 tors. eta vs tors. theta energy: -71.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -936.532576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.532576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.532576 (E_RNA) where: Base-Base interactions energy: -525.619 where: short stacking energy: -281.357 Base-Backbone interact. energy: 6.568 local terms energy: -417.481690 where: bonds (distance) C4'-P energy: -110.712 bonds (distance) P-C4' energy: -136.355 flat angles C4'-P-C4' energy: -106.193 flat angles P-C4'-P energy: -43.564 tors. eta vs tors. theta energy: -20.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -698.092194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.092194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.092194 (E_RNA) where: Base-Base interactions energy: -305.560 where: short stacking energy: -193.300 Base-Backbone interact. energy: 0.407 local terms energy: -392.939306 where: bonds (distance) C4'-P energy: -126.980 bonds (distance) P-C4' energy: -131.856 flat angles C4'-P-C4' energy: -84.868 flat angles P-C4'-P energy: -70.901 tors. eta vs tors. theta energy: 21.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2685.213194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.213194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.213194 (E_RNA) where: Base-Base interactions energy: -1876.825 where: short stacking energy: -762.742 Base-Backbone interact. energy: -0.786 local terms energy: -807.602854 where: bonds (distance) C4'-P energy: -136.277 bonds (distance) P-C4' energy: -162.212 flat angles C4'-P-C4' energy: -171.349 flat angles P-C4'-P energy: -113.351 tors. eta vs tors. theta energy: -224.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2505.913315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.913315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.913315 (E_RNA) where: Base-Base interactions energy: -1708.118 where: short stacking energy: -775.540 Base-Backbone interact. energy: -1.993 local terms energy: -795.802666 where: bonds (distance) C4'-P energy: -131.507 bonds (distance) P-C4' energy: -158.606 flat angles C4'-P-C4' energy: -171.202 flat angles P-C4'-P energy: -121.689 tors. eta vs tors. theta energy: -212.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2399.286422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.286422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.286422 (E_RNA) where: Base-Base interactions energy: -1675.127 where: short stacking energy: -704.486 Base-Backbone interact. energy: -3.849 local terms energy: -720.310051 where: bonds (distance) C4'-P energy: -115.258 bonds (distance) P-C4' energy: -157.457 flat angles C4'-P-C4' energy: -157.228 flat angles P-C4'-P energy: -100.585 tors. eta vs tors. theta energy: -189.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2312.814935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.814935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.814935 (E_RNA) where: Base-Base interactions energy: -1559.772 where: short stacking energy: -644.665 Base-Backbone interact. energy: -1.812 local terms energy: -751.230945 where: bonds (distance) C4'-P energy: -135.897 bonds (distance) P-C4' energy: -139.095 flat angles C4'-P-C4' energy: -162.534 flat angles P-C4'-P energy: -104.705 tors. eta vs tors. theta energy: -209.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2162.947730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.947730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.947730 (E_RNA) where: Base-Base interactions energy: -1452.150 where: short stacking energy: -611.659 Base-Backbone interact. energy: -1.956 local terms energy: -708.841281 where: bonds (distance) C4'-P energy: -135.424 bonds (distance) P-C4' energy: -137.735 flat angles C4'-P-C4' energy: -157.676 flat angles P-C4'-P energy: -101.484 tors. eta vs tors. theta energy: -176.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1787.288435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.288435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.288435 (E_RNA) where: Base-Base interactions energy: -1156.765 where: short stacking energy: -523.441 Base-Backbone interact. energy: -2.456 local terms energy: -628.067170 where: bonds (distance) C4'-P energy: -143.188 bonds (distance) P-C4' energy: -138.625 flat angles C4'-P-C4' energy: -137.861 flat angles P-C4'-P energy: -92.960 tors. eta vs tors. theta energy: -115.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1557.056485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.056485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.056485 (E_RNA) where: Base-Base interactions energy: -1001.014 where: short stacking energy: -448.728 Base-Backbone interact. energy: -4.053 local terms energy: -551.989914 where: bonds (distance) C4'-P energy: -124.460 bonds (distance) P-C4' energy: -125.775 flat angles C4'-P-C4' energy: -134.235 flat angles P-C4'-P energy: -80.878 tors. eta vs tors. theta energy: -86.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1374.209826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.209826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.209826 (E_RNA) where: Base-Base interactions energy: -856.893 where: short stacking energy: -422.164 Base-Backbone interact. energy: -1.748 local terms energy: -515.568245 where: bonds (distance) C4'-P energy: -113.663 bonds (distance) P-C4' energy: -118.580 flat angles C4'-P-C4' energy: -126.505 flat angles P-C4'-P energy: -74.369 tors. eta vs tors. theta energy: -82.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -915.943872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.943872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.943872 (E_RNA) where: Base-Base interactions energy: -494.379 where: short stacking energy: -283.993 Base-Backbone interact. energy: -1.136 local terms energy: -420.428802 where: bonds (distance) C4'-P energy: -101.135 bonds (distance) P-C4' energy: -132.833 flat angles C4'-P-C4' energy: -115.504 flat angles P-C4'-P energy: -49.853 tors. eta vs tors. theta energy: -21.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -680.807027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.807027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.807027 (E_RNA) where: Base-Base interactions energy: -327.643 where: short stacking energy: -227.100 Base-Backbone interact. energy: 4.569 local terms energy: -357.733087 where: bonds (distance) C4'-P energy: -100.927 bonds (distance) P-C4' energy: -114.490 flat angles C4'-P-C4' energy: -107.605 flat angles P-C4'-P energy: -49.581 tors. eta vs tors. theta energy: 14.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2696.082902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.082902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.082902 (E_RNA) where: Base-Base interactions energy: -1907.177 where: short stacking energy: -775.752 Base-Backbone interact. energy: -0.661 local terms energy: -788.245117 where: bonds (distance) C4'-P energy: -151.221 bonds (distance) P-C4' energy: -141.203 flat angles C4'-P-C4' energy: -174.375 flat angles P-C4'-P energy: -102.051 tors. eta vs tors. theta energy: -219.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2506.096213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.096213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.096213 (E_RNA) where: Base-Base interactions energy: -1715.986 where: short stacking energy: -750.246 Base-Backbone interact. energy: -1.586 local terms energy: -788.524393 where: bonds (distance) C4'-P energy: -148.201 bonds (distance) P-C4' energy: -148.306 flat angles C4'-P-C4' energy: -158.033 flat angles P-C4'-P energy: -102.231 tors. eta vs tors. theta energy: -231.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2412.078932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.078932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.078932 (E_RNA) where: Base-Base interactions energy: -1655.362 where: short stacking energy: -687.906 Base-Backbone interact. energy: -3.583 local terms energy: -753.133936 where: bonds (distance) C4'-P energy: -132.767 bonds (distance) P-C4' energy: -153.186 flat angles C4'-P-C4' energy: -170.064 flat angles P-C4'-P energy: -103.536 tors. eta vs tors. theta energy: -193.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2279.327449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.327449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.327449 (E_RNA) where: Base-Base interactions energy: -1552.365 where: short stacking energy: -692.424 Base-Backbone interact. energy: -4.764 local terms energy: -722.198356 where: bonds (distance) C4'-P energy: -129.759 bonds (distance) P-C4' energy: -136.304 flat angles C4'-P-C4' energy: -158.911 flat angles P-C4'-P energy: -103.803 tors. eta vs tors. theta energy: -193.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2098.924923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.924923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.924923 (E_RNA) where: Base-Base interactions energy: -1413.919 where: short stacking energy: -627.299 Base-Backbone interact. energy: -0.889 local terms energy: -684.117466 where: bonds (distance) C4'-P energy: -133.720 bonds (distance) P-C4' energy: -149.189 flat angles C4'-P-C4' energy: -145.624 flat angles P-C4'-P energy: -85.922 tors. eta vs tors. theta energy: -169.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1826.443562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.443562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.443562 (E_RNA) where: Base-Base interactions energy: -1201.980 where: short stacking energy: -541.970 Base-Backbone interact. energy: -0.461 local terms energy: -624.002478 where: bonds (distance) C4'-P energy: -121.290 bonds (distance) P-C4' energy: -128.291 flat angles C4'-P-C4' energy: -125.591 flat angles P-C4'-P energy: -114.080 tors. eta vs tors. theta energy: -134.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1578.611264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.611264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.611264 (E_RNA) where: Base-Base interactions energy: -995.673 where: short stacking energy: -482.173 Base-Backbone interact. energy: -1.472 local terms energy: -581.465847 where: bonds (distance) C4'-P energy: -124.766 bonds (distance) P-C4' energy: -147.265 flat angles C4'-P-C4' energy: -134.651 flat angles P-C4'-P energy: -70.700 tors. eta vs tors. theta energy: -104.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1372.570418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.570418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.570418 (E_RNA) where: Base-Base interactions energy: -854.599 where: short stacking energy: -391.741 Base-Backbone interact. energy: 0.020 local terms energy: -517.991432 where: bonds (distance) C4'-P energy: -121.503 bonds (distance) P-C4' energy: -131.161 flat angles C4'-P-C4' energy: -135.427 flat angles P-C4'-P energy: -71.344 tors. eta vs tors. theta energy: -58.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -905.334207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.334207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.334207 (E_RNA) where: Base-Base interactions energy: -499.658 where: short stacking energy: -250.664 Base-Backbone interact. energy: -0.830 local terms energy: -404.846291 where: bonds (distance) C4'-P energy: -100.605 bonds (distance) P-C4' energy: -119.040 flat angles C4'-P-C4' energy: -111.662 flat angles P-C4'-P energy: -63.113 tors. eta vs tors. theta energy: -10.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -639.594597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.594597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.594597 (E_RNA) where: Base-Base interactions energy: -252.243 where: short stacking energy: -203.882 Base-Backbone interact. energy: -4.141 local terms energy: -383.210014 where: bonds (distance) C4'-P energy: -111.950 bonds (distance) P-C4' energy: -118.301 flat angles C4'-P-C4' energy: -122.084 flat angles P-C4'-P energy: -39.867 tors. eta vs tors. theta energy: 8.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2673.939089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.939089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.939089 (E_RNA) where: Base-Base interactions energy: -1858.471 where: short stacking energy: -764.756 Base-Backbone interact. energy: -3.816 local terms energy: -811.652337 where: bonds (distance) C4'-P energy: -151.124 bonds (distance) P-C4' energy: -156.155 flat angles C4'-P-C4' energy: -177.508 flat angles P-C4'-P energy: -103.475 tors. eta vs tors. theta energy: -223.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2533.057100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.057100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.057100 (E_RNA) where: Base-Base interactions energy: -1723.866 where: short stacking energy: -754.428 Base-Backbone interact. energy: -1.839 local terms energy: -807.352335 where: bonds (distance) C4'-P energy: -147.296 bonds (distance) P-C4' energy: -155.744 flat angles C4'-P-C4' energy: -165.987 flat angles P-C4'-P energy: -123.006 tors. eta vs tors. theta energy: -215.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2410.165076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.165076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.165076 (E_RNA) where: Base-Base interactions energy: -1662.443 where: short stacking energy: -706.213 Base-Backbone interact. energy: -0.515 local terms energy: -747.207646 where: bonds (distance) C4'-P energy: -135.303 bonds (distance) P-C4' energy: -142.119 flat angles C4'-P-C4' energy: -157.676 flat angles P-C4'-P energy: -98.008 tors. eta vs tors. theta energy: -214.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2286.172267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.172267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.172267 (E_RNA) where: Base-Base interactions energy: -1553.697 where: short stacking energy: -693.083 Base-Backbone interact. energy: -1.223 local terms energy: -731.252132 where: bonds (distance) C4'-P energy: -120.665 bonds (distance) P-C4' energy: -144.449 flat angles C4'-P-C4' energy: -145.025 flat angles P-C4'-P energy: -110.634 tors. eta vs tors. theta energy: -210.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2116.206839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.206839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.206839 (E_RNA) where: Base-Base interactions energy: -1437.006 where: short stacking energy: -612.174 Base-Backbone interact. energy: -5.648 local terms energy: -673.552656 where: bonds (distance) C4'-P energy: -125.725 bonds (distance) P-C4' energy: -131.541 flat angles C4'-P-C4' energy: -141.100 flat angles P-C4'-P energy: -87.529 tors. eta vs tors. theta energy: -187.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1782.298173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.298173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.298173 (E_RNA) where: Base-Base interactions energy: -1176.624 where: short stacking energy: -527.314 Base-Backbone interact. energy: 0.214 local terms energy: -605.887851 where: bonds (distance) C4'-P energy: -116.917 bonds (distance) P-C4' energy: -133.566 flat angles C4'-P-C4' energy: -138.391 flat angles P-C4'-P energy: -87.417 tors. eta vs tors. theta energy: -129.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1624.139701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.139701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.139701 (E_RNA) where: Base-Base interactions energy: -1064.366 where: short stacking energy: -479.480 Base-Backbone interact. energy: 2.023 local terms energy: -561.796181 where: bonds (distance) C4'-P energy: -117.003 bonds (distance) P-C4' energy: -131.608 flat angles C4'-P-C4' energy: -129.428 flat angles P-C4'-P energy: -74.317 tors. eta vs tors. theta energy: -109.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1371.916371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.916371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.916371 (E_RNA) where: Base-Base interactions energy: -889.409 where: short stacking energy: -400.075 Base-Backbone interact. energy: 2.720 local terms energy: -485.226689 where: bonds (distance) C4'-P energy: -109.091 bonds (distance) P-C4' energy: -122.691 flat angles C4'-P-C4' energy: -105.431 flat angles P-C4'-P energy: -72.980 tors. eta vs tors. theta energy: -75.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -938.405966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.405966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.405966 (E_RNA) where: Base-Base interactions energy: -506.540 where: short stacking energy: -276.618 Base-Backbone interact. energy: -1.293 local terms energy: -430.573072 where: bonds (distance) C4'-P energy: -112.641 bonds (distance) P-C4' energy: -110.653 flat angles C4'-P-C4' energy: -103.164 flat angles P-C4'-P energy: -76.905 tors. eta vs tors. theta energy: -27.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -553.874008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.874008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.874008 (E_RNA) where: Base-Base interactions energy: -200.266 where: short stacking energy: -133.644 Base-Backbone interact. energy: 5.440 local terms energy: -359.048009 where: bonds (distance) C4'-P energy: -113.361 bonds (distance) P-C4' energy: -116.710 flat angles C4'-P-C4' energy: -102.139 flat angles P-C4'-P energy: -63.379 tors. eta vs tors. theta energy: 36.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2662.716183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.716183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.716183 (E_RNA) where: Base-Base interactions energy: -1853.168 where: short stacking energy: -773.292 Base-Backbone interact. energy: -4.452 local terms energy: -805.096856 where: bonds (distance) C4'-P energy: -146.231 bonds (distance) P-C4' energy: -156.065 flat angles C4'-P-C4' energy: -162.606 flat angles P-C4'-P energy: -113.126 tors. eta vs tors. theta energy: -227.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2544.341708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.341708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.341708 (E_RNA) where: Base-Base interactions energy: -1744.086 where: short stacking energy: -762.471 Base-Backbone interact. energy: -2.987 local terms energy: -797.268737 where: bonds (distance) C4'-P energy: -131.235 bonds (distance) P-C4' energy: -153.929 flat angles C4'-P-C4' energy: -167.835 flat angles P-C4'-P energy: -114.435 tors. eta vs tors. theta energy: -229.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2414.637659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.637659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.637659 (E_RNA) where: Base-Base interactions energy: -1682.832 where: short stacking energy: -693.937 Base-Backbone interact. energy: -2.404 local terms energy: -729.401727 where: bonds (distance) C4'-P energy: -134.430 bonds (distance) P-C4' energy: -132.920 flat angles C4'-P-C4' energy: -151.912 flat angles P-C4'-P energy: -106.572 tors. eta vs tors. theta energy: -203.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2310.951276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.951276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.951276 (E_RNA) where: Base-Base interactions energy: -1577.610 where: short stacking energy: -694.011 Base-Backbone interact. energy: 3.192 local terms energy: -736.532779 where: bonds (distance) C4'-P energy: -137.863 bonds (distance) P-C4' energy: -128.376 flat angles C4'-P-C4' energy: -155.105 flat angles P-C4'-P energy: -94.574 tors. eta vs tors. theta energy: -220.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2140.107050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.107050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.107050 (E_RNA) where: Base-Base interactions energy: -1433.527 where: short stacking energy: -637.710 Base-Backbone interact. energy: 0.253 local terms energy: -706.832401 where: bonds (distance) C4'-P energy: -130.508 bonds (distance) P-C4' energy: -133.775 flat angles C4'-P-C4' energy: -142.486 flat angles P-C4'-P energy: -116.372 tors. eta vs tors. theta energy: -183.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1756.262691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.262691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.262691 (E_RNA) where: Base-Base interactions energy: -1148.259 where: short stacking energy: -528.168 Base-Backbone interact. energy: 0.317 local terms energy: -608.712715 where: bonds (distance) C4'-P energy: -130.119 bonds (distance) P-C4' energy: -142.500 flat angles C4'-P-C4' energy: -123.230 flat angles P-C4'-P energy: -93.029 tors. eta vs tors. theta energy: -119.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.392 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1603.220845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.220845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.220845 (E_RNA) where: Base-Base interactions energy: -1038.575 where: short stacking energy: -486.854 Base-Backbone interact. energy: -2.882 local terms energy: -561.763681 where: bonds (distance) C4'-P energy: -121.614 bonds (distance) P-C4' energy: -103.599 flat angles C4'-P-C4' energy: -143.479 flat angles P-C4'-P energy: -72.653 tors. eta vs tors. theta energy: -120.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1322.057730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.057730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.057730 (E_RNA) where: Base-Base interactions energy: -793.896 where: short stacking energy: -362.846 Base-Backbone interact. energy: 1.421 local terms energy: -529.582906 where: bonds (distance) C4'-P energy: -140.051 bonds (distance) P-C4' energy: -120.443 flat angles C4'-P-C4' energy: -123.620 flat angles P-C4'-P energy: -82.825 tors. eta vs tors. theta energy: -62.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -891.751175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.751175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.751175 (E_RNA) where: Base-Base interactions energy: -461.790 where: short stacking energy: -239.554 Base-Backbone interact. energy: 2.767 local terms energy: -432.727963 where: bonds (distance) C4'-P energy: -105.695 bonds (distance) P-C4' energy: -134.589 flat angles C4'-P-C4' energy: -119.264 flat angles P-C4'-P energy: -51.820 tors. eta vs tors. theta energy: -21.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -547.051179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.051179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.051179 (E_RNA) where: Base-Base interactions energy: -194.972 where: short stacking energy: -162.574 Base-Backbone interact. energy: 8.207 local terms energy: -360.287081 where: bonds (distance) C4'-P energy: -117.870 bonds (distance) P-C4' energy: -117.024 flat angles C4'-P-C4' energy: -98.121 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: 26.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2667.950275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.950275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.950275 (E_RNA) where: Base-Base interactions energy: -1865.157 where: short stacking energy: -738.578 Base-Backbone interact. energy: -0.311 local terms energy: -802.482784 where: bonds (distance) C4'-P energy: -149.033 bonds (distance) P-C4' energy: -154.111 flat angles C4'-P-C4' energy: -167.634 flat angles P-C4'-P energy: -113.909 tors. eta vs tors. theta energy: -217.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2560.140304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.140304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.140304 (E_RNA) where: Base-Base interactions energy: -1765.749 where: short stacking energy: -792.598 Base-Backbone interact. energy: -4.640 local terms energy: -789.751320 where: bonds (distance) C4'-P energy: -143.083 bonds (distance) P-C4' energy: -138.740 flat angles C4'-P-C4' energy: -170.898 flat angles P-C4'-P energy: -104.223 tors. eta vs tors. theta energy: -232.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2383.665620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.665620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.665620 (E_RNA) where: Base-Base interactions energy: -1628.267 where: short stacking energy: -703.183 Base-Backbone interact. energy: -2.732 local terms energy: -752.666472 where: bonds (distance) C4'-P energy: -140.845 bonds (distance) P-C4' energy: -142.712 flat angles C4'-P-C4' energy: -160.188 flat angles P-C4'-P energy: -103.478 tors. eta vs tors. theta energy: -205.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2279.985283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.985283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.985283 (E_RNA) where: Base-Base interactions energy: -1538.521 where: short stacking energy: -678.514 Base-Backbone interact. energy: -1.036 local terms energy: -740.428152 where: bonds (distance) C4'-P energy: -136.417 bonds (distance) P-C4' energy: -137.838 flat angles C4'-P-C4' energy: -146.366 flat angles P-C4'-P energy: -104.306 tors. eta vs tors. theta energy: -215.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2139.131164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.131164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.131164 (E_RNA) where: Base-Base interactions energy: -1447.822 where: short stacking energy: -630.260 Base-Backbone interact. energy: -0.211 local terms energy: -691.097397 where: bonds (distance) C4'-P energy: -130.054 bonds (distance) P-C4' energy: -141.135 flat angles C4'-P-C4' energy: -147.955 flat angles P-C4'-P energy: -95.849 tors. eta vs tors. theta energy: -176.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1712.433886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.433886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.433886 (E_RNA) where: Base-Base interactions energy: -1101.705 where: short stacking energy: -512.245 Base-Backbone interact. energy: -0.278 local terms energy: -610.450485 where: bonds (distance) C4'-P energy: -143.281 bonds (distance) P-C4' energy: -124.522 flat angles C4'-P-C4' energy: -140.044 flat angles P-C4'-P energy: -70.374 tors. eta vs tors. theta energy: -132.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1663.640522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.640522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.640522 (E_RNA) where: Base-Base interactions energy: -1089.982 where: short stacking energy: -486.377 Base-Backbone interact. energy: 1.452 local terms energy: -575.110730 where: bonds (distance) C4'-P energy: -114.855 bonds (distance) P-C4' energy: -130.807 flat angles C4'-P-C4' energy: -132.593 flat angles P-C4'-P energy: -84.131 tors. eta vs tors. theta energy: -112.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1369.827517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.827517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.827517 (E_RNA) where: Base-Base interactions energy: -860.950 where: short stacking energy: -399.276 Base-Backbone interact. energy: 2.648 local terms energy: -511.525951 where: bonds (distance) C4'-P energy: -124.037 bonds (distance) P-C4' energy: -136.113 flat angles C4'-P-C4' energy: -126.389 flat angles P-C4'-P energy: -56.735 tors. eta vs tors. theta energy: -68.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -858.648910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.648910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.648910 (E_RNA) where: Base-Base interactions energy: -428.718 where: short stacking energy: -244.059 Base-Backbone interact. energy: -0.977 local terms energy: -428.953033 where: bonds (distance) C4'-P energy: -118.776 bonds (distance) P-C4' energy: -136.085 flat angles C4'-P-C4' energy: -117.652 flat angles P-C4'-P energy: -60.284 tors. eta vs tors. theta energy: 3.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -557.188427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.188427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.188427 (E_RNA) where: Base-Base interactions energy: -216.089 where: short stacking energy: -166.464 Base-Backbone interact. energy: -0.473 local terms energy: -340.626389 where: bonds (distance) C4'-P energy: -96.927 bonds (distance) P-C4' energy: -107.634 flat angles C4'-P-C4' energy: -77.085 flat angles P-C4'-P energy: -66.709 tors. eta vs tors. theta energy: 7.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2709.709695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.709695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.709695 (E_RNA) where: Base-Base interactions energy: -1890.976 where: short stacking energy: -769.219 Base-Backbone interact. energy: 0.944 local terms energy: -819.677831 where: bonds (distance) C4'-P energy: -146.310 bonds (distance) P-C4' energy: -152.288 flat angles C4'-P-C4' energy: -173.950 flat angles P-C4'-P energy: -118.038 tors. eta vs tors. theta energy: -229.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2531.799189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.799189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.799189 (E_RNA) where: Base-Base interactions energy: -1722.367 where: short stacking energy: -779.665 Base-Backbone interact. energy: 0.262 local terms energy: -809.694844 where: bonds (distance) C4'-P energy: -140.796 bonds (distance) P-C4' energy: -145.507 flat angles C4'-P-C4' energy: -178.915 flat angles P-C4'-P energy: -117.595 tors. eta vs tors. theta energy: -226.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2395.208351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.208351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.208351 (E_RNA) where: Base-Base interactions energy: -1662.664 where: short stacking energy: -710.208 Base-Backbone interact. energy: -1.430 local terms energy: -731.114314 where: bonds (distance) C4'-P energy: -126.874 bonds (distance) P-C4' energy: -128.474 flat angles C4'-P-C4' energy: -157.172 flat angles P-C4'-P energy: -118.319 tors. eta vs tors. theta energy: -200.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2244.862370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.862370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.862370 (E_RNA) where: Base-Base interactions energy: -1525.873 where: short stacking energy: -649.519 Base-Backbone interact. energy: -0.901 local terms energy: -718.088767 where: bonds (distance) C4'-P energy: -137.190 bonds (distance) P-C4' energy: -149.213 flat angles C4'-P-C4' energy: -141.567 flat angles P-C4'-P energy: -96.951 tors. eta vs tors. theta energy: -193.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2163.386068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.386068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.386068 (E_RNA) where: Base-Base interactions energy: -1479.972 where: short stacking energy: -678.518 Base-Backbone interact. energy: -1.772 local terms energy: -681.642404 where: bonds (distance) C4'-P energy: -120.468 bonds (distance) P-C4' energy: -135.487 flat angles C4'-P-C4' energy: -138.114 flat angles P-C4'-P energy: -97.740 tors. eta vs tors. theta energy: -189.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1708.234097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.234097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.234097 (E_RNA) where: Base-Base interactions energy: -1088.287 where: short stacking energy: -508.297 Base-Backbone interact. energy: -0.623 local terms energy: -619.323959 where: bonds (distance) C4'-P energy: -128.312 bonds (distance) P-C4' energy: -140.851 flat angles C4'-P-C4' energy: -142.429 flat angles P-C4'-P energy: -89.571 tors. eta vs tors. theta energy: -118.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1699.827450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.827450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.827450 (E_RNA) where: Base-Base interactions energy: -1131.099 where: short stacking energy: -504.427 Base-Backbone interact. energy: 3.518 local terms energy: -572.246182 where: bonds (distance) C4'-P energy: -120.682 bonds (distance) P-C4' energy: -138.024 flat angles C4'-P-C4' energy: -121.069 flat angles P-C4'-P energy: -83.868 tors. eta vs tors. theta energy: -108.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1449.370452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.370452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.370452 (E_RNA) where: Base-Base interactions energy: -945.467 where: short stacking energy: -405.811 Base-Backbone interact. energy: -3.648 local terms energy: -500.255810 where: bonds (distance) C4'-P energy: -115.834 bonds (distance) P-C4' energy: -117.698 flat angles C4'-P-C4' energy: -126.766 flat angles P-C4'-P energy: -74.838 tors. eta vs tors. theta energy: -65.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -924.257239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.257239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.257239 (E_RNA) where: Base-Base interactions energy: -485.088 where: short stacking energy: -278.391 Base-Backbone interact. energy: 3.266 local terms energy: -442.435866 where: bonds (distance) C4'-P energy: -102.222 bonds (distance) P-C4' energy: -110.652 flat angles C4'-P-C4' energy: -118.424 flat angles P-C4'-P energy: -73.869 tors. eta vs tors. theta energy: -37.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -574.825960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.825960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.825960 (E_RNA) where: Base-Base interactions energy: -186.660 where: short stacking energy: -168.799 Base-Backbone interact. energy: 3.086 local terms energy: -391.251544 where: bonds (distance) C4'-P energy: -113.363 bonds (distance) P-C4' energy: -131.860 flat angles C4'-P-C4' energy: -118.877 flat angles P-C4'-P energy: -65.674 tors. eta vs tors. theta energy: 38.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2706.743121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.743121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.743121 (E_RNA) where: Base-Base interactions energy: -1909.314 where: short stacking energy: -792.397 Base-Backbone interact. energy: 1.722 local terms energy: -799.150509 where: bonds (distance) C4'-P energy: -151.545 bonds (distance) P-C4' energy: -143.560 flat angles C4'-P-C4' energy: -175.149 flat angles P-C4'-P energy: -106.419 tors. eta vs tors. theta energy: -222.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2500.224087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.224087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.224087 (E_RNA) where: Base-Base interactions energy: -1717.617 where: short stacking energy: -774.584 Base-Backbone interact. energy: -0.350 local terms energy: -782.257445 where: bonds (distance) C4'-P energy: -148.082 bonds (distance) P-C4' energy: -153.361 flat angles C4'-P-C4' energy: -160.948 flat angles P-C4'-P energy: -102.377 tors. eta vs tors. theta energy: -217.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2393.175391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.175391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.175391 (E_RNA) where: Base-Base interactions energy: -1634.602 where: short stacking energy: -692.891 Base-Backbone interact. energy: 8.093 local terms energy: -766.666359 where: bonds (distance) C4'-P energy: -137.510 bonds (distance) P-C4' energy: -152.909 flat angles C4'-P-C4' energy: -175.998 flat angles P-C4'-P energy: -107.029 tors. eta vs tors. theta energy: -193.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2282.262870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.262870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.262870 (E_RNA) where: Base-Base interactions energy: -1536.148 where: short stacking energy: -692.053 Base-Backbone interact. energy: -1.984 local terms energy: -744.131084 where: bonds (distance) C4'-P energy: -124.491 bonds (distance) P-C4' energy: -141.210 flat angles C4'-P-C4' energy: -160.852 flat angles P-C4'-P energy: -112.792 tors. eta vs tors. theta energy: -204.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2163.165680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.165680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.165680 (E_RNA) where: Base-Base interactions energy: -1470.214 where: short stacking energy: -629.265 Base-Backbone interact. energy: 0.064 local terms energy: -693.015596 where: bonds (distance) C4'-P energy: -135.360 bonds (distance) P-C4' energy: -140.374 flat angles C4'-P-C4' energy: -145.029 flat angles P-C4'-P energy: -84.639 tors. eta vs tors. theta energy: -187.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1741.695926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.695926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.695926 (E_RNA) where: Base-Base interactions energy: -1124.072 where: short stacking energy: -502.008 Base-Backbone interact. energy: -0.142 local terms energy: -617.481903 where: bonds (distance) C4'-P energy: -138.652 bonds (distance) P-C4' energy: -119.918 flat angles C4'-P-C4' energy: -137.853 flat angles P-C4'-P energy: -90.830 tors. eta vs tors. theta energy: -130.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1575.189413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.189413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.189413 (E_RNA) where: Base-Base interactions energy: -1009.192 where: short stacking energy: -454.159 Base-Backbone interact. energy: -3.168 local terms energy: -562.828789 where: bonds (distance) C4'-P energy: -128.441 bonds (distance) P-C4' energy: -127.856 flat angles C4'-P-C4' energy: -124.045 flat angles P-C4'-P energy: -78.738 tors. eta vs tors. theta energy: -103.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1475.071873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.071873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.071873 (E_RNA) where: Base-Base interactions energy: -950.848 where: short stacking energy: -423.552 Base-Backbone interact. energy: -0.642 local terms energy: -523.581929 where: bonds (distance) C4'-P energy: -133.419 bonds (distance) P-C4' energy: -116.176 flat angles C4'-P-C4' energy: -113.934 flat angles P-C4'-P energy: -76.318 tors. eta vs tors. theta energy: -83.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -922.429962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.429962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.429962 (E_RNA) where: Base-Base interactions energy: -473.865 where: short stacking energy: -231.750 Base-Backbone interact. energy: -1.074 local terms energy: -447.491253 where: bonds (distance) C4'-P energy: -134.259 bonds (distance) P-C4' energy: -122.077 flat angles C4'-P-C4' energy: -117.403 flat angles P-C4'-P energy: -60.837 tors. eta vs tors. theta energy: -12.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -583.286270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.286270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.286270 (E_RNA) where: Base-Base interactions energy: -198.033 where: short stacking energy: -166.309 Base-Backbone interact. energy: -0.996 local terms energy: -384.256981 where: bonds (distance) C4'-P energy: -125.438 bonds (distance) P-C4' energy: -125.195 flat angles C4'-P-C4' energy: -114.211 flat angles P-C4'-P energy: -51.199 tors. eta vs tors. theta energy: 31.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2677.707431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.707431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.707431 (E_RNA) where: Base-Base interactions energy: -1865.722 where: short stacking energy: -777.793 Base-Backbone interact. energy: -2.051 local terms energy: -809.933868 where: bonds (distance) C4'-P energy: -162.876 bonds (distance) P-C4' energy: -150.951 flat angles C4'-P-C4' energy: -165.393 flat angles P-C4'-P energy: -111.941 tors. eta vs tors. theta energy: -218.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2485.965156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.965156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.965156 (E_RNA) where: Base-Base interactions energy: -1712.609 where: short stacking energy: -749.157 Base-Backbone interact. energy: -0.629 local terms energy: -772.726972 where: bonds (distance) C4'-P energy: -145.666 bonds (distance) P-C4' energy: -135.026 flat angles C4'-P-C4' energy: -163.546 flat angles P-C4'-P energy: -116.433 tors. eta vs tors. theta energy: -212.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2401.589424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.589424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.589424 (E_RNA) where: Base-Base interactions energy: -1655.749 where: short stacking energy: -712.189 Base-Backbone interact. energy: -0.319 local terms energy: -745.521951 where: bonds (distance) C4'-P energy: -127.954 bonds (distance) P-C4' energy: -141.060 flat angles C4'-P-C4' energy: -157.135 flat angles P-C4'-P energy: -118.599 tors. eta vs tors. theta energy: -200.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2298.130229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.130229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.130229 (E_RNA) where: Base-Base interactions energy: -1589.341 where: short stacking energy: -677.540 Base-Backbone interact. energy: -4.694 local terms energy: -704.304277 where: bonds (distance) C4'-P energy: -134.731 bonds (distance) P-C4' energy: -126.684 flat angles C4'-P-C4' energy: -144.033 flat angles P-C4'-P energy: -100.117 tors. eta vs tors. theta energy: -198.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.209 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2143.829565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.829565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.829565 (E_RNA) where: Base-Base interactions energy: -1470.393 where: short stacking energy: -612.434 Base-Backbone interact. energy: -2.038 local terms energy: -671.398152 where: bonds (distance) C4'-P energy: -121.021 bonds (distance) P-C4' energy: -130.062 flat angles C4'-P-C4' energy: -150.016 flat angles P-C4'-P energy: -108.915 tors. eta vs tors. theta energy: -161.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1750.355270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.355270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.355270 (E_RNA) where: Base-Base interactions energy: -1137.250 where: short stacking energy: -514.147 Base-Backbone interact. energy: 1.257 local terms energy: -614.363057 where: bonds (distance) C4'-P energy: -127.997 bonds (distance) P-C4' energy: -139.745 flat angles C4'-P-C4' energy: -132.322 flat angles P-C4'-P energy: -87.900 tors. eta vs tors. theta energy: -126.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1696.970471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.970471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.970471 (E_RNA) where: Base-Base interactions energy: -1086.172 where: short stacking energy: -500.250 Base-Backbone interact. energy: -2.271 local terms energy: -608.527260 where: bonds (distance) C4'-P energy: -134.481 bonds (distance) P-C4' energy: -137.070 flat angles C4'-P-C4' energy: -144.271 flat angles P-C4'-P energy: -90.867 tors. eta vs tors. theta energy: -101.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1515.100191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.100191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.100191 (E_RNA) where: Base-Base interactions energy: -995.255 where: short stacking energy: -428.092 Base-Backbone interact. energy: -0.254 local terms energy: -519.591417 where: bonds (distance) C4'-P energy: -109.788 bonds (distance) P-C4' energy: -115.478 flat angles C4'-P-C4' energy: -107.572 flat angles P-C4'-P energy: -86.930 tors. eta vs tors. theta energy: -99.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -938.512626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.512626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.512626 (E_RNA) where: Base-Base interactions energy: -527.514 where: short stacking energy: -269.256 Base-Backbone interact. energy: -2.979 local terms energy: -408.020099 where: bonds (distance) C4'-P energy: -108.672 bonds (distance) P-C4' energy: -130.804 flat angles C4'-P-C4' energy: -112.984 flat angles P-C4'-P energy: -46.253 tors. eta vs tors. theta energy: -9.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -590.042006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.042006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.042006 (E_RNA) where: Base-Base interactions energy: -234.084 where: short stacking energy: -152.728 Base-Backbone interact. energy: 3.086 local terms energy: -359.043750 where: bonds (distance) C4'-P energy: -106.979 bonds (distance) P-C4' energy: -136.547 flat angles C4'-P-C4' energy: -90.752 flat angles P-C4'-P energy: -48.466 tors. eta vs tors. theta energy: 23.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2683.022529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.022529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.022529 (E_RNA) where: Base-Base interactions energy: -1911.705 where: short stacking energy: -784.162 Base-Backbone interact. energy: -2.681 local terms energy: -768.636717 where: bonds (distance) C4'-P energy: -134.232 bonds (distance) P-C4' energy: -138.733 flat angles C4'-P-C4' energy: -164.389 flat angles P-C4'-P energy: -106.513 tors. eta vs tors. theta energy: -224.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2478.810702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.810702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.810702 (E_RNA) where: Base-Base interactions energy: -1690.408 where: short stacking energy: -722.132 Base-Backbone interact. energy: -0.461 local terms energy: -787.941459 where: bonds (distance) C4'-P energy: -147.265 bonds (distance) P-C4' energy: -139.056 flat angles C4'-P-C4' energy: -170.127 flat angles P-C4'-P energy: -120.307 tors. eta vs tors. theta energy: -211.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2436.970454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.970454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.970454 (E_RNA) where: Base-Base interactions energy: -1696.687 where: short stacking energy: -735.459 Base-Backbone interact. energy: 0.818 local terms energy: -741.101267 where: bonds (distance) C4'-P energy: -121.717 bonds (distance) P-C4' energy: -139.935 flat angles C4'-P-C4' energy: -160.752 flat angles P-C4'-P energy: -112.946 tors. eta vs tors. theta energy: -205.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2270.783159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.783159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.783159 (E_RNA) where: Base-Base interactions energy: -1542.548 where: short stacking energy: -665.533 Base-Backbone interact. energy: 0.162 local terms energy: -728.397563 where: bonds (distance) C4'-P energy: -124.424 bonds (distance) P-C4' energy: -138.792 flat angles C4'-P-C4' energy: -161.286 flat angles P-C4'-P energy: -97.961 tors. eta vs tors. theta energy: -205.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2126.678270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.678270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.678270 (E_RNA) where: Base-Base interactions energy: -1431.451 where: short stacking energy: -585.600 Base-Backbone interact. energy: -2.050 local terms energy: -693.177137 where: bonds (distance) C4'-P energy: -135.968 bonds (distance) P-C4' energy: -145.251 flat angles C4'-P-C4' energy: -143.999 flat angles P-C4'-P energy: -104.057 tors. eta vs tors. theta energy: -163.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1852.037431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.037431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.037431 (E_RNA) where: Base-Base interactions energy: -1205.649 where: short stacking energy: -553.792 Base-Backbone interact. energy: -2.862 local terms energy: -643.526774 where: bonds (distance) C4'-P energy: -129.381 bonds (distance) P-C4' energy: -138.846 flat angles C4'-P-C4' energy: -143.899 flat angles P-C4'-P energy: -85.355 tors. eta vs tors. theta energy: -146.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1706.317968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.317968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.317968 (E_RNA) where: Base-Base interactions energy: -1118.927 where: short stacking energy: -492.336 Base-Backbone interact. energy: 2.068 local terms energy: -589.458824 where: bonds (distance) C4'-P energy: -140.025 bonds (distance) P-C4' energy: -127.738 flat angles C4'-P-C4' energy: -130.547 flat angles P-C4'-P energy: -69.726 tors. eta vs tors. theta energy: -121.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1517.655091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.655091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.655091 (E_RNA) where: Base-Base interactions energy: -984.470 where: short stacking energy: -427.297 Base-Backbone interact. energy: 0.081 local terms energy: -533.266291 where: bonds (distance) C4'-P energy: -119.766 bonds (distance) P-C4' energy: -132.916 flat angles C4'-P-C4' energy: -121.916 flat angles P-C4'-P energy: -67.892 tors. eta vs tors. theta energy: -90.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -896.788019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.788019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.788019 (E_RNA) where: Base-Base interactions energy: -460.248 where: short stacking energy: -243.183 Base-Backbone interact. energy: 1.589 local terms energy: -438.129560 where: bonds (distance) C4'-P energy: -107.933 bonds (distance) P-C4' energy: -129.352 flat angles C4'-P-C4' energy: -114.921 flat angles P-C4'-P energy: -80.171 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -630.985424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.985424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.985424 (E_RNA) where: Base-Base interactions energy: -222.287 where: short stacking energy: -167.650 Base-Backbone interact. energy: -1.129 local terms energy: -407.568888 where: bonds (distance) C4'-P energy: -113.555 bonds (distance) P-C4' energy: -140.707 flat angles C4'-P-C4' energy: -113.914 flat angles P-C4'-P energy: -59.313 tors. eta vs tors. theta energy: 19.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2683.156957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.156957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.156957 (E_RNA) where: Base-Base interactions energy: -1873.426 where: short stacking energy: -753.810 Base-Backbone interact. energy: 0.722 local terms energy: -810.452162 where: bonds (distance) C4'-P energy: -148.953 bonds (distance) P-C4' energy: -151.435 flat angles C4'-P-C4' energy: -168.799 flat angles P-C4'-P energy: -115.637 tors. eta vs tors. theta energy: -225.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2455.387920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.387920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.387920 (E_RNA) where: Base-Base interactions energy: -1685.991 where: short stacking energy: -730.506 Base-Backbone interact. energy: -0.866 local terms energy: -768.531126 where: bonds (distance) C4'-P energy: -144.466 bonds (distance) P-C4' energy: -136.890 flat angles C4'-P-C4' energy: -157.789 flat angles P-C4'-P energy: -116.411 tors. eta vs tors. theta energy: -212.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2386.743340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.743340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.743340 (E_RNA) where: Base-Base interactions energy: -1665.840 where: short stacking energy: -686.154 Base-Backbone interact. energy: -3.006 local terms energy: -717.897400 where: bonds (distance) C4'-P energy: -129.401 bonds (distance) P-C4' energy: -141.450 flat angles C4'-P-C4' energy: -164.532 flat angles P-C4'-P energy: -101.434 tors. eta vs tors. theta energy: -181.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2278.958723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.958723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.958723 (E_RNA) where: Base-Base interactions energy: -1535.586 where: short stacking energy: -702.355 Base-Backbone interact. energy: 0.666 local terms energy: -744.038372 where: bonds (distance) C4'-P energy: -148.220 bonds (distance) P-C4' energy: -129.439 flat angles C4'-P-C4' energy: -165.200 flat angles P-C4'-P energy: -102.748 tors. eta vs tors. theta energy: -198.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2145.392466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.392466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.392466 (E_RNA) where: Base-Base interactions energy: -1450.727 where: short stacking energy: -627.328 Base-Backbone interact. energy: -1.697 local terms energy: -692.968151 where: bonds (distance) C4'-P energy: -123.515 bonds (distance) P-C4' energy: -129.306 flat angles C4'-P-C4' energy: -157.207 flat angles P-C4'-P energy: -108.194 tors. eta vs tors. theta energy: -174.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1799.745826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.745826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.745826 (E_RNA) where: Base-Base interactions energy: -1200.573 where: short stacking energy: -532.411 Base-Backbone interact. energy: -2.977 local terms energy: -596.195672 where: bonds (distance) C4'-P energy: -121.081 bonds (distance) P-C4' energy: -117.278 flat angles C4'-P-C4' energy: -137.192 flat angles P-C4'-P energy: -88.677 tors. eta vs tors. theta energy: -131.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1667.228831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.228831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.228831 (E_RNA) where: Base-Base interactions energy: -1082.130 where: short stacking energy: -465.260 Base-Backbone interact. energy: 0.492 local terms energy: -585.590417 where: bonds (distance) C4'-P energy: -135.905 bonds (distance) P-C4' energy: -128.735 flat angles C4'-P-C4' energy: -128.154 flat angles P-C4'-P energy: -93.674 tors. eta vs tors. theta energy: -99.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1486.721400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.721400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.721400 (E_RNA) where: Base-Base interactions energy: -943.346 where: short stacking energy: -441.102 Base-Backbone interact. energy: 0.112 local terms energy: -543.487952 where: bonds (distance) C4'-P energy: -103.606 bonds (distance) P-C4' energy: -145.613 flat angles C4'-P-C4' energy: -143.648 flat angles P-C4'-P energy: -67.110 tors. eta vs tors. theta energy: -83.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -924.003593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.003593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.003593 (E_RNA) where: Base-Base interactions energy: -488.887 where: short stacking energy: -303.977 Base-Backbone interact. energy: 3.291 local terms energy: -438.408054 where: bonds (distance) C4'-P energy: -118.517 bonds (distance) P-C4' energy: -114.265 flat angles C4'-P-C4' energy: -100.038 flat angles P-C4'-P energy: -83.537 tors. eta vs tors. theta energy: -22.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -649.043038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.043038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.043038 (E_RNA) where: Base-Base interactions energy: -252.326 where: short stacking energy: -187.056 Base-Backbone interact. energy: 0.985 local terms energy: -397.702351 where: bonds (distance) C4'-P energy: -138.017 bonds (distance) P-C4' energy: -117.317 flat angles C4'-P-C4' energy: -77.256 flat angles P-C4'-P energy: -78.664 tors. eta vs tors. theta energy: 13.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2686.087534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.087534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.087534 (E_RNA) where: Base-Base interactions energy: -1870.892 where: short stacking energy: -781.028 Base-Backbone interact. energy: -2.072 local terms energy: -813.123724 where: bonds (distance) C4'-P energy: -123.082 bonds (distance) P-C4' energy: -172.238 flat angles C4'-P-C4' energy: -169.608 flat angles P-C4'-P energy: -117.391 tors. eta vs tors. theta energy: -230.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2487.551092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.551092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.551092 (E_RNA) where: Base-Base interactions energy: -1674.703 where: short stacking energy: -730.512 Base-Backbone interact. energy: -4.389 local terms energy: -808.458426 where: bonds (distance) C4'-P energy: -164.347 bonds (distance) P-C4' energy: -146.157 flat angles C4'-P-C4' energy: -158.831 flat angles P-C4'-P energy: -113.437 tors. eta vs tors. theta energy: -225.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2448.115426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.115426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.115426 (E_RNA) where: Base-Base interactions energy: -1682.418 where: short stacking energy: -701.063 Base-Backbone interact. energy: -2.313 local terms energy: -763.384873 where: bonds (distance) C4'-P energy: -136.958 bonds (distance) P-C4' energy: -142.521 flat angles C4'-P-C4' energy: -168.810 flat angles P-C4'-P energy: -106.232 tors. eta vs tors. theta energy: -208.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2278.357813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.357813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.357813 (E_RNA) where: Base-Base interactions energy: -1573.656 where: short stacking energy: -669.334 Base-Backbone interact. energy: -3.171 local terms energy: -701.531201 where: bonds (distance) C4'-P energy: -140.568 bonds (distance) P-C4' energy: -128.173 flat angles C4'-P-C4' energy: -144.480 flat angles P-C4'-P energy: -93.193 tors. eta vs tors. theta energy: -195.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2112.597786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.597786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.597786 (E_RNA) where: Base-Base interactions energy: -1485.381 where: short stacking energy: -593.041 Base-Backbone interact. energy: 1.400 local terms energy: -628.616950 where: bonds (distance) C4'-P energy: -128.570 bonds (distance) P-C4' energy: -136.233 flat angles C4'-P-C4' energy: -134.784 flat angles P-C4'-P energy: -81.380 tors. eta vs tors. theta energy: -147.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1834.479869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.479869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.479869 (E_RNA) where: Base-Base interactions energy: -1232.631 where: short stacking energy: -518.820 Base-Backbone interact. energy: -0.262 local terms energy: -601.587350 where: bonds (distance) C4'-P energy: -110.012 bonds (distance) P-C4' energy: -140.941 flat angles C4'-P-C4' energy: -146.681 flat angles P-C4'-P energy: -93.173 tors. eta vs tors. theta energy: -110.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1592.806068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.806068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.806068 (E_RNA) where: Base-Base interactions energy: -1025.663 where: short stacking energy: -429.470 Base-Backbone interact. energy: -2.835 local terms energy: -564.308232 where: bonds (distance) C4'-P energy: -129.116 bonds (distance) P-C4' energy: -123.781 flat angles C4'-P-C4' energy: -139.131 flat angles P-C4'-P energy: -84.820 tors. eta vs tors. theta energy: -87.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1409.662981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.662981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.662981 (E_RNA) where: Base-Base interactions energy: -888.740 where: short stacking energy: -421.674 Base-Backbone interact. energy: -1.272 local terms energy: -519.650682 where: bonds (distance) C4'-P energy: -119.641 bonds (distance) P-C4' energy: -119.229 flat angles C4'-P-C4' energy: -130.441 flat angles P-C4'-P energy: -78.615 tors. eta vs tors. theta energy: -71.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -883.110842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.110842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.110842 (E_RNA) where: Base-Base interactions energy: -463.429 where: short stacking energy: -235.968 Base-Backbone interact. energy: 0.820 local terms energy: -420.502028 where: bonds (distance) C4'-P energy: -150.789 bonds (distance) P-C4' energy: -129.130 flat angles C4'-P-C4' energy: -93.790 flat angles P-C4'-P energy: -49.351 tors. eta vs tors. theta energy: 2.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -626.108587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.108587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.108587 (E_RNA) where: Base-Base interactions energy: -278.683 where: short stacking energy: -185.862 Base-Backbone interact. energy: 0.115 local terms energy: -347.540160 where: bonds (distance) C4'-P energy: -95.757 bonds (distance) P-C4' energy: -131.117 flat angles C4'-P-C4' energy: -76.471 flat angles P-C4'-P energy: -60.579 tors. eta vs tors. theta energy: 16.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2686.065646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.065646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.065646 (E_RNA) where: Base-Base interactions energy: -1874.740 where: short stacking energy: -774.426 Base-Backbone interact. energy: -2.113 local terms energy: -809.213560 where: bonds (distance) C4'-P energy: -152.391 bonds (distance) P-C4' energy: -146.528 flat angles C4'-P-C4' energy: -166.708 flat angles P-C4'-P energy: -110.822 tors. eta vs tors. theta energy: -232.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2500.835825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.835825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.835825 (E_RNA) where: Base-Base interactions energy: -1689.348 where: short stacking energy: -739.498 Base-Backbone interact. energy: -1.074 local terms energy: -810.413948 where: bonds (distance) C4'-P energy: -154.543 bonds (distance) P-C4' energy: -153.549 flat angles C4'-P-C4' energy: -163.534 flat angles P-C4'-P energy: -107.613 tors. eta vs tors. theta energy: -231.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2401.940071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.940071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.940071 (E_RNA) where: Base-Base interactions energy: -1671.114 where: short stacking energy: -698.024 Base-Backbone interact. energy: -4.447 local terms energy: -726.378533 where: bonds (distance) C4'-P energy: -127.381 bonds (distance) P-C4' energy: -144.271 flat angles C4'-P-C4' energy: -153.759 flat angles P-C4'-P energy: -100.270 tors. eta vs tors. theta energy: -200.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2257.003719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.003719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.003719 (E_RNA) where: Base-Base interactions energy: -1536.787 where: short stacking energy: -689.384 Base-Backbone interact. energy: -2.922 local terms energy: -717.294343 where: bonds (distance) C4'-P energy: -136.720 bonds (distance) P-C4' energy: -127.163 flat angles C4'-P-C4' energy: -141.986 flat angles P-C4'-P energy: -112.000 tors. eta vs tors. theta energy: -199.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2157.119824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.119824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.119824 (E_RNA) where: Base-Base interactions energy: -1465.251 where: short stacking energy: -609.294 Base-Backbone interact. energy: -0.002 local terms energy: -691.866572 where: bonds (distance) C4'-P energy: -125.541 bonds (distance) P-C4' energy: -157.985 flat angles C4'-P-C4' energy: -148.114 flat angles P-C4'-P energy: -107.612 tors. eta vs tors. theta energy: -152.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1914.322044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.322044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.322044 (E_RNA) where: Base-Base interactions energy: -1300.386 where: short stacking energy: -562.591 Base-Backbone interact. energy: -3.427 local terms energy: -610.509812 where: bonds (distance) C4'-P energy: -122.357 bonds (distance) P-C4' energy: -135.817 flat angles C4'-P-C4' energy: -137.270 flat angles P-C4'-P energy: -74.570 tors. eta vs tors. theta energy: -140.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1604.468819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.468819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.468819 (E_RNA) where: Base-Base interactions energy: -1044.719 where: short stacking energy: -469.980 Base-Backbone interact. energy: -2.376 local terms energy: -557.374163 where: bonds (distance) C4'-P energy: -124.892 bonds (distance) P-C4' energy: -134.238 flat angles C4'-P-C4' energy: -122.730 flat angles P-C4'-P energy: -72.753 tors. eta vs tors. theta energy: -102.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1379.139516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.139516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.139516 (E_RNA) where: Base-Base interactions energy: -883.359 where: short stacking energy: -405.333 Base-Backbone interact. energy: -1.579 local terms energy: -494.201497 where: bonds (distance) C4'-P energy: -113.706 bonds (distance) P-C4' energy: -112.544 flat angles C4'-P-C4' energy: -133.171 flat angles P-C4'-P energy: -68.734 tors. eta vs tors. theta energy: -66.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -888.530400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.530400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.530400 (E_RNA) where: Base-Base interactions energy: -466.042 where: short stacking energy: -249.213 Base-Backbone interact. energy: 2.645 local terms energy: -425.133069 where: bonds (distance) C4'-P energy: -115.492 bonds (distance) P-C4' energy: -122.256 flat angles C4'-P-C4' energy: -107.970 flat angles P-C4'-P energy: -72.904 tors. eta vs tors. theta energy: -6.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -623.475503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.475503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.475503 (E_RNA) where: Base-Base interactions energy: -229.204 where: short stacking energy: -171.620 Base-Backbone interact. energy: 8.817 local terms energy: -403.088588 where: bonds (distance) C4'-P energy: -135.868 bonds (distance) P-C4' energy: -118.562 flat angles C4'-P-C4' energy: -104.229 flat angles P-C4'-P energy: -67.724 tors. eta vs tors. theta energy: 23.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2682.952518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.952518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.952518 (E_RNA) where: Base-Base interactions energy: -1841.471 where: short stacking energy: -756.567 Base-Backbone interact. energy: -1.352 local terms energy: -840.129849 where: bonds (distance) C4'-P energy: -157.671 bonds (distance) P-C4' energy: -170.925 flat angles C4'-P-C4' energy: -176.635 flat angles P-C4'-P energy: -100.124 tors. eta vs tors. theta energy: -234.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2511.373153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.373153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.373153 (E_RNA) where: Base-Base interactions energy: -1719.767 where: short stacking energy: -747.073 Base-Backbone interact. energy: -4.271 local terms energy: -787.335050 where: bonds (distance) C4'-P energy: -140.070 bonds (distance) P-C4' energy: -148.527 flat angles C4'-P-C4' energy: -171.212 flat angles P-C4'-P energy: -100.292 tors. eta vs tors. theta energy: -227.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2438.636752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.636752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.636752 (E_RNA) where: Base-Base interactions energy: -1714.416 where: short stacking energy: -714.905 Base-Backbone interact. energy: -2.220 local terms energy: -722.001042 where: bonds (distance) C4'-P energy: -121.876 bonds (distance) P-C4' energy: -137.837 flat angles C4'-P-C4' energy: -153.105 flat angles P-C4'-P energy: -112.289 tors. eta vs tors. theta energy: -196.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2275.957946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.957946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.957946 (E_RNA) where: Base-Base interactions energy: -1531.864 where: short stacking energy: -673.540 Base-Backbone interact. energy: -1.473 local terms energy: -742.879489 where: bonds (distance) C4'-P energy: -123.523 bonds (distance) P-C4' energy: -148.542 flat angles C4'-P-C4' energy: -153.748 flat angles P-C4'-P energy: -112.316 tors. eta vs tors. theta energy: -204.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.258 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2163.116507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.116507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.116507 (E_RNA) where: Base-Base interactions energy: -1478.562 where: short stacking energy: -623.882 Base-Backbone interact. energy: 0.947 local terms energy: -685.500860 where: bonds (distance) C4'-P energy: -130.314 bonds (distance) P-C4' energy: -145.706 flat angles C4'-P-C4' energy: -143.078 flat angles P-C4'-P energy: -98.747 tors. eta vs tors. theta energy: -167.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1880.373737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.373737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.373737 (E_RNA) where: Base-Base interactions energy: -1251.869 where: short stacking energy: -540.393 Base-Backbone interact. energy: 0.665 local terms energy: -629.169289 where: bonds (distance) C4'-P energy: -124.080 bonds (distance) P-C4' energy: -132.009 flat angles C4'-P-C4' energy: -139.550 flat angles P-C4'-P energy: -103.886 tors. eta vs tors. theta energy: -129.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1621.420163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.420163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.420163 (E_RNA) where: Base-Base interactions energy: -1003.919 where: short stacking energy: -450.164 Base-Backbone interact. energy: -3.089 local terms energy: -614.411787 where: bonds (distance) C4'-P energy: -145.601 bonds (distance) P-C4' energy: -142.467 flat angles C4'-P-C4' energy: -134.730 flat angles P-C4'-P energy: -90.727 tors. eta vs tors. theta energy: -100.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1365.437592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.437592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.437592 (E_RNA) where: Base-Base interactions energy: -821.144 where: short stacking energy: -389.816 Base-Backbone interact. energy: 4.363 local terms energy: -548.656742 where: bonds (distance) C4'-P energy: -119.435 bonds (distance) P-C4' energy: -140.002 flat angles C4'-P-C4' energy: -138.825 flat angles P-C4'-P energy: -86.729 tors. eta vs tors. theta energy: -63.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -862.010385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.010385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.010385 (E_RNA) where: Base-Base interactions energy: -443.893 where: short stacking energy: -255.684 Base-Backbone interact. energy: -2.735 local terms energy: -415.382801 where: bonds (distance) C4'-P energy: -121.222 bonds (distance) P-C4' energy: -126.774 flat angles C4'-P-C4' energy: -96.289 flat angles P-C4'-P energy: -56.031 tors. eta vs tors. theta energy: -15.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -590.566391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.566391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.566391 (E_RNA) where: Base-Base interactions energy: -208.029 where: short stacking energy: -151.769 Base-Backbone interact. energy: -2.258 local terms energy: -380.280077 where: bonds (distance) C4'-P energy: -136.145 bonds (distance) P-C4' energy: -129.416 flat angles C4'-P-C4' energy: -95.973 flat angles P-C4'-P energy: -49.779 tors. eta vs tors. theta energy: 31.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2678.848948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.848948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.848948 (E_RNA) where: Base-Base interactions energy: -1869.330 where: short stacking energy: -784.505 Base-Backbone interact. energy: -2.775 local terms energy: -806.743487 where: bonds (distance) C4'-P energy: -154.466 bonds (distance) P-C4' energy: -143.085 flat angles C4'-P-C4' energy: -171.260 flat angles P-C4'-P energy: -113.976 tors. eta vs tors. theta energy: -223.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2500.038258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.038258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.038258 (E_RNA) where: Base-Base interactions energy: -1697.366 where: short stacking energy: -771.297 Base-Backbone interact. energy: -5.000 local terms energy: -797.672010 where: bonds (distance) C4'-P energy: -147.684 bonds (distance) P-C4' energy: -138.002 flat angles C4'-P-C4' energy: -172.947 flat angles P-C4'-P energy: -112.885 tors. eta vs tors. theta energy: -226.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2425.475594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.475594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.475594 (E_RNA) where: Base-Base interactions energy: -1677.032 where: short stacking energy: -700.801 Base-Backbone interact. energy: -2.327 local terms energy: -746.116191 where: bonds (distance) C4'-P energy: -137.867 bonds (distance) P-C4' energy: -137.908 flat angles C4'-P-C4' energy: -159.133 flat angles P-C4'-P energy: -104.009 tors. eta vs tors. theta energy: -207.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2286.206645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.206645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.206645 (E_RNA) where: Base-Base interactions energy: -1560.577 where: short stacking energy: -672.593 Base-Backbone interact. energy: 3.932 local terms energy: -730.606649 where: bonds (distance) C4'-P energy: -131.432 bonds (distance) P-C4' energy: -141.348 flat angles C4'-P-C4' energy: -158.924 flat angles P-C4'-P energy: -103.684 tors. eta vs tors. theta energy: -195.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.045 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2174.359221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.359221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.359221 (E_RNA) where: Base-Base interactions energy: -1487.118 where: short stacking energy: -625.044 Base-Backbone interact. energy: -1.479 local terms energy: -685.762805 where: bonds (distance) C4'-P energy: -109.522 bonds (distance) P-C4' energy: -157.395 flat angles C4'-P-C4' energy: -154.786 flat angles P-C4'-P energy: -95.792 tors. eta vs tors. theta energy: -168.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1834.203927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.203927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.203927 (E_RNA) where: Base-Base interactions energy: -1206.525 where: short stacking energy: -516.043 Base-Backbone interact. energy: -1.516 local terms energy: -626.162543 where: bonds (distance) C4'-P energy: -138.599 bonds (distance) P-C4' energy: -130.217 flat angles C4'-P-C4' energy: -139.846 flat angles P-C4'-P energy: -92.500 tors. eta vs tors. theta energy: -125.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1612.513995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.513995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.513995 (E_RNA) where: Base-Base interactions energy: -1035.291 where: short stacking energy: -453.014 Base-Backbone interact. energy: 2.285 local terms energy: -579.508206 where: bonds (distance) C4'-P energy: -140.665 bonds (distance) P-C4' energy: -134.382 flat angles C4'-P-C4' energy: -130.184 flat angles P-C4'-P energy: -62.065 tors. eta vs tors. theta energy: -112.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1406.098025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.098025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.098025 (E_RNA) where: Base-Base interactions energy: -866.190 where: short stacking energy: -402.565 Base-Backbone interact. energy: 1.691 local terms energy: -541.599126 where: bonds (distance) C4'-P energy: -113.037 bonds (distance) P-C4' energy: -136.311 flat angles C4'-P-C4' energy: -139.197 flat angles P-C4'-P energy: -82.400 tors. eta vs tors. theta energy: -70.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -887.919274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.919274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.919274 (E_RNA) where: Base-Base interactions energy: -446.049 where: short stacking energy: -233.208 Base-Backbone interact. energy: -0.934 local terms energy: -440.936471 where: bonds (distance) C4'-P energy: -127.129 bonds (distance) P-C4' energy: -121.389 flat angles C4'-P-C4' energy: -116.203 flat angles P-C4'-P energy: -66.532 tors. eta vs tors. theta energy: -9.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -645.284593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.284593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.284593 (E_RNA) where: Base-Base interactions energy: -254.119 where: short stacking energy: -151.397 Base-Backbone interact. energy: 4.063 local terms energy: -395.228268 where: bonds (distance) C4'-P energy: -113.886 bonds (distance) P-C4' energy: -132.189 flat angles C4'-P-C4' energy: -93.795 flat angles P-C4'-P energy: -71.064 tors. eta vs tors. theta energy: 15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2665.264947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.264947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.264947 (E_RNA) where: Base-Base interactions energy: -1865.897 where: short stacking energy: -772.902 Base-Backbone interact. energy: -0.753 local terms energy: -798.615550 where: bonds (distance) C4'-P energy: -149.575 bonds (distance) P-C4' energy: -144.849 flat angles C4'-P-C4' energy: -165.766 flat angles P-C4'-P energy: -112.775 tors. eta vs tors. theta energy: -225.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2524.227299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.227299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.227299 (E_RNA) where: Base-Base interactions energy: -1730.021 where: short stacking energy: -746.182 Base-Backbone interact. energy: -1.794 local terms energy: -792.411463 where: bonds (distance) C4'-P energy: -142.816 bonds (distance) P-C4' energy: -151.058 flat angles C4'-P-C4' energy: -164.424 flat angles P-C4'-P energy: -117.387 tors. eta vs tors. theta energy: -216.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2407.097030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.097030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.097030 (E_RNA) where: Base-Base interactions energy: -1677.160 where: short stacking energy: -691.010 Base-Backbone interact. energy: -2.606 local terms energy: -727.331284 where: bonds (distance) C4'-P energy: -140.757 bonds (distance) P-C4' energy: -142.734 flat angles C4'-P-C4' energy: -161.773 flat angles P-C4'-P energy: -95.235 tors. eta vs tors. theta energy: -186.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2286.706912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.706912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.706912 (E_RNA) where: Base-Base interactions energy: -1572.516 where: short stacking energy: -669.238 Base-Backbone interact. energy: 0.823 local terms energy: -715.013643 where: bonds (distance) C4'-P energy: -123.142 bonds (distance) P-C4' energy: -142.961 flat angles C4'-P-C4' energy: -155.901 flat angles P-C4'-P energy: -96.873 tors. eta vs tors. theta energy: -196.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2164.293693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.293693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.293693 (E_RNA) where: Base-Base interactions energy: -1498.171 where: short stacking energy: -642.126 Base-Backbone interact. energy: -3.401 local terms energy: -662.722280 where: bonds (distance) C4'-P energy: -119.630 bonds (distance) P-C4' energy: -136.847 flat angles C4'-P-C4' energy: -154.668 flat angles P-C4'-P energy: -90.602 tors. eta vs tors. theta energy: -160.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1884.080997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.080997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.080997 (E_RNA) where: Base-Base interactions energy: -1284.939 where: short stacking energy: -584.637 Base-Backbone interact. energy: -0.016 local terms energy: -599.125619 where: bonds (distance) C4'-P energy: -121.877 bonds (distance) P-C4' energy: -109.873 flat angles C4'-P-C4' energy: -140.089 flat angles P-C4'-P energy: -89.734 tors. eta vs tors. theta energy: -137.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1651.325138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.325138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.325138 (E_RNA) where: Base-Base interactions energy: -1118.560 where: short stacking energy: -469.665 Base-Backbone interact. energy: -0.066 local terms energy: -533.130366 where: bonds (distance) C4'-P energy: -97.692 bonds (distance) P-C4' energy: -119.201 flat angles C4'-P-C4' energy: -138.254 flat angles P-C4'-P energy: -82.520 tors. eta vs tors. theta energy: -95.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.431 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1413.202287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.202287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.202287 (E_RNA) where: Base-Base interactions energy: -876.358 where: short stacking energy: -387.529 Base-Backbone interact. energy: -0.745 local terms energy: -536.098752 where: bonds (distance) C4'-P energy: -105.876 bonds (distance) P-C4' energy: -139.379 flat angles C4'-P-C4' energy: -132.358 flat angles P-C4'-P energy: -84.111 tors. eta vs tors. theta energy: -74.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -805.754234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.754234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.754234 (E_RNA) where: Base-Base interactions energy: -390.978 where: short stacking energy: -201.724 Base-Backbone interact. energy: 0.632 local terms energy: -415.408920 where: bonds (distance) C4'-P energy: -113.619 bonds (distance) P-C4' energy: -136.255 flat angles C4'-P-C4' energy: -107.703 flat angles P-C4'-P energy: -69.212 tors. eta vs tors. theta energy: 11.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -672.330307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.330307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.330307 (E_RNA) where: Base-Base interactions energy: -268.870 where: short stacking energy: -201.403 Base-Backbone interact. energy: -1.117 local terms energy: -402.343439 where: bonds (distance) C4'-P energy: -122.303 bonds (distance) P-C4' energy: -121.601 flat angles C4'-P-C4' energy: -118.159 flat angles P-C4'-P energy: -50.464 tors. eta vs tors. theta energy: 10.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2661.002159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.002159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.002159 (E_RNA) where: Base-Base interactions energy: -1859.330 where: short stacking energy: -745.154 Base-Backbone interact. energy: -4.514 local terms energy: -797.158610 where: bonds (distance) C4'-P energy: -137.609 bonds (distance) P-C4' energy: -158.104 flat angles C4'-P-C4' energy: -177.521 flat angles P-C4'-P energy: -107.580 tors. eta vs tors. theta energy: -216.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2516.637957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.637957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.637957 (E_RNA) where: Base-Base interactions energy: -1762.275 where: short stacking energy: -735.134 Base-Backbone interact. energy: -4.403 local terms energy: -749.960086 where: bonds (distance) C4'-P energy: -127.296 bonds (distance) P-C4' energy: -150.428 flat angles C4'-P-C4' energy: -156.054 flat angles P-C4'-P energy: -92.837 tors. eta vs tors. theta energy: -223.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2423.650466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.650466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.650466 (E_RNA) where: Base-Base interactions energy: -1686.932 where: short stacking energy: -690.968 Base-Backbone interact. energy: -1.841 local terms energy: -734.876738 where: bonds (distance) C4'-P energy: -148.132 bonds (distance) P-C4' energy: -126.517 flat angles C4'-P-C4' energy: -152.624 flat angles P-C4'-P energy: -111.919 tors. eta vs tors. theta energy: -195.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2291.326741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.326741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.326741 (E_RNA) where: Base-Base interactions energy: -1565.421 where: short stacking energy: -676.483 Base-Backbone interact. energy: -0.878 local terms energy: -725.180827 where: bonds (distance) C4'-P energy: -135.603 bonds (distance) P-C4' energy: -135.582 flat angles C4'-P-C4' energy: -152.537 flat angles P-C4'-P energy: -91.210 tors. eta vs tors. theta energy: -210.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.153 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2089.687822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.687822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.687822 (E_RNA) where: Base-Base interactions energy: -1425.644 where: short stacking energy: -590.387 Base-Backbone interact. energy: -6.982 local terms energy: -657.061278 where: bonds (distance) C4'-P energy: -129.643 bonds (distance) P-C4' energy: -142.986 flat angles C4'-P-C4' energy: -138.701 flat angles P-C4'-P energy: -78.749 tors. eta vs tors. theta energy: -166.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1910.672682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.672682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.672682 (E_RNA) where: Base-Base interactions energy: -1290.457 where: short stacking energy: -549.590 Base-Backbone interact. energy: -2.702 local terms energy: -617.513933 where: bonds (distance) C4'-P energy: -133.562 bonds (distance) P-C4' energy: -107.758 flat angles C4'-P-C4' energy: -150.201 flat angles P-C4'-P energy: -92.566 tors. eta vs tors. theta energy: -133.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1655.276555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.276555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.276555 (E_RNA) where: Base-Base interactions energy: -1058.245 where: short stacking energy: -503.632 Base-Backbone interact. energy: -2.128 local terms energy: -594.903123 where: bonds (distance) C4'-P energy: -136.755 bonds (distance) P-C4' energy: -142.130 flat angles C4'-P-C4' energy: -120.452 flat angles P-C4'-P energy: -89.089 tors. eta vs tors. theta energy: -106.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1468.908481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.908481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.908481 (E_RNA) where: Base-Base interactions energy: -949.347 where: short stacking energy: -439.773 Base-Backbone interact. energy: 2.338 local terms energy: -521.899029 where: bonds (distance) C4'-P energy: -131.790 bonds (distance) P-C4' energy: -129.660 flat angles C4'-P-C4' energy: -120.631 flat angles P-C4'-P energy: -63.429 tors. eta vs tors. theta energy: -76.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -853.426255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.426255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.426255 (E_RNA) where: Base-Base interactions energy: -429.162 where: short stacking energy: -227.934 Base-Backbone interact. energy: 3.933 local terms energy: -428.197357 where: bonds (distance) C4'-P energy: -119.127 bonds (distance) P-C4' energy: -135.964 flat angles C4'-P-C4' energy: -99.327 flat angles P-C4'-P energy: -73.958 tors. eta vs tors. theta energy: 0.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -569.883386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.883386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.883386 (E_RNA) where: Base-Base interactions energy: -229.880 where: short stacking energy: -151.132 Base-Backbone interact. energy: 1.318 local terms energy: -341.321129 where: bonds (distance) C4'-P energy: -98.430 bonds (distance) P-C4' energy: -90.369 flat angles C4'-P-C4' energy: -98.622 flat angles P-C4'-P energy: -69.904 tors. eta vs tors. theta energy: 16.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2675.785993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.785993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.785993 (E_RNA) where: Base-Base interactions energy: -1879.989 where: short stacking energy: -784.590 Base-Backbone interact. energy: 0.188 local terms energy: -795.985297 where: bonds (distance) C4'-P energy: -138.468 bonds (distance) P-C4' energy: -153.783 flat angles C4'-P-C4' energy: -173.696 flat angles P-C4'-P energy: -95.195 tors. eta vs tors. theta energy: -234.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2514.655019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.655019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.655019 (E_RNA) where: Base-Base interactions energy: -1723.639 where: short stacking energy: -751.412 Base-Backbone interact. energy: -1.758 local terms energy: -789.257745 where: bonds (distance) C4'-P energy: -150.821 bonds (distance) P-C4' energy: -148.606 flat angles C4'-P-C4' energy: -168.668 flat angles P-C4'-P energy: -104.626 tors. eta vs tors. theta energy: -216.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2424.081837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.081837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.081837 (E_RNA) where: Base-Base interactions energy: -1655.406 where: short stacking energy: -698.330 Base-Backbone interact. energy: -4.780 local terms energy: -763.895781 where: bonds (distance) C4'-P energy: -137.984 bonds (distance) P-C4' energy: -158.924 flat angles C4'-P-C4' energy: -162.600 flat angles P-C4'-P energy: -107.441 tors. eta vs tors. theta energy: -196.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2295.556651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.556651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.556651 (E_RNA) where: Base-Base interactions energy: -1594.956 where: short stacking energy: -684.546 Base-Backbone interact. energy: 1.943 local terms energy: -702.543699 where: bonds (distance) C4'-P energy: -135.293 bonds (distance) P-C4' energy: -129.958 flat angles C4'-P-C4' energy: -155.136 flat angles P-C4'-P energy: -97.195 tors. eta vs tors. theta energy: -184.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2145.880115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.880115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.880115 (E_RNA) where: Base-Base interactions energy: -1445.346 where: short stacking energy: -601.035 Base-Backbone interact. energy: -1.155 local terms energy: -699.379013 where: bonds (distance) C4'-P energy: -122.083 bonds (distance) P-C4' energy: -138.515 flat angles C4'-P-C4' energy: -153.764 flat angles P-C4'-P energy: -105.851 tors. eta vs tors. theta energy: -179.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1876.978861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.978861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.978861 (E_RNA) where: Base-Base interactions energy: -1264.078 where: short stacking energy: -525.992 Base-Backbone interact. energy: -2.239 local terms energy: -610.661367 where: bonds (distance) C4'-P energy: -127.982 bonds (distance) P-C4' energy: -127.463 flat angles C4'-P-C4' energy: -140.388 flat angles P-C4'-P energy: -91.056 tors. eta vs tors. theta energy: -123.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1633.308185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.308185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.308185 (E_RNA) where: Base-Base interactions energy: -1050.709 where: short stacking energy: -490.607 Base-Backbone interact. energy: 2.523 local terms energy: -585.122273 where: bonds (distance) C4'-P energy: -127.014 bonds (distance) P-C4' energy: -124.953 flat angles C4'-P-C4' energy: -137.720 flat angles P-C4'-P energy: -82.751 tors. eta vs tors. theta energy: -112.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1510.513934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.513934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.513934 (E_RNA) where: Base-Base interactions energy: -974.964 where: short stacking energy: -428.819 Base-Backbone interact. energy: 0.972 local terms energy: -536.522629 where: bonds (distance) C4'-P energy: -118.666 bonds (distance) P-C4' energy: -121.054 flat angles C4'-P-C4' energy: -122.048 flat angles P-C4'-P energy: -78.196 tors. eta vs tors. theta energy: -96.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -855.076767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.076767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.076767 (E_RNA) where: Base-Base interactions energy: -425.281 where: short stacking energy: -238.383 Base-Backbone interact. energy: -0.686 local terms energy: -429.109727 where: bonds (distance) C4'-P energy: -116.169 bonds (distance) P-C4' energy: -129.120 flat angles C4'-P-C4' energy: -98.693 flat angles P-C4'-P energy: -63.879 tors. eta vs tors. theta energy: -21.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -572.959735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.959735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.959735 (E_RNA) where: Base-Base interactions energy: -206.406 where: short stacking energy: -168.194 Base-Backbone interact. energy: -4.768 local terms energy: -361.785705 where: bonds (distance) C4'-P energy: -99.660 bonds (distance) P-C4' energy: -127.128 flat angles C4'-P-C4' energy: -92.147 flat angles P-C4'-P energy: -65.605 tors. eta vs tors. theta energy: 22.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2696.764083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.764083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.764083 (E_RNA) where: Base-Base interactions energy: -1884.600 where: short stacking energy: -788.019 Base-Backbone interact. energy: 2.928 local terms energy: -815.092395 where: bonds (distance) C4'-P energy: -147.267 bonds (distance) P-C4' energy: -147.344 flat angles C4'-P-C4' energy: -177.722 flat angles P-C4'-P energy: -106.604 tors. eta vs tors. theta energy: -236.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2499.132540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.132540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.132540 (E_RNA) where: Base-Base interactions energy: -1698.323 where: short stacking energy: -763.613 Base-Backbone interact. energy: -3.080 local terms energy: -797.729065 where: bonds (distance) C4'-P energy: -135.929 bonds (distance) P-C4' energy: -147.915 flat angles C4'-P-C4' energy: -172.134 flat angles P-C4'-P energy: -118.748 tors. eta vs tors. theta energy: -223.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2408.465426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.465426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.465426 (E_RNA) where: Base-Base interactions energy: -1671.659 where: short stacking energy: -697.622 Base-Backbone interact. energy: -4.801 local terms energy: -732.005539 where: bonds (distance) C4'-P energy: -123.242 bonds (distance) P-C4' energy: -142.461 flat angles C4'-P-C4' energy: -168.292 flat angles P-C4'-P energy: -95.362 tors. eta vs tors. theta energy: -202.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2303.738687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.738687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.738687 (E_RNA) where: Base-Base interactions energy: -1566.972 where: short stacking energy: -665.449 Base-Backbone interact. energy: -0.597 local terms energy: -736.168905 where: bonds (distance) C4'-P energy: -124.058 bonds (distance) P-C4' energy: -151.381 flat angles C4'-P-C4' energy: -156.108 flat angles P-C4'-P energy: -100.322 tors. eta vs tors. theta energy: -204.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2171.712943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.712943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.712943 (E_RNA) where: Base-Base interactions energy: -1470.012 where: short stacking energy: -625.753 Base-Backbone interact. energy: 0.288 local terms energy: -701.989185 where: bonds (distance) C4'-P energy: -145.382 bonds (distance) P-C4' energy: -138.890 flat angles C4'-P-C4' energy: -142.902 flat angles P-C4'-P energy: -92.748 tors. eta vs tors. theta energy: -182.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1941.169666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.169666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.169666 (E_RNA) where: Base-Base interactions energy: -1323.435 where: short stacking energy: -577.422 Base-Backbone interact. energy: -1.013 local terms energy: -616.722162 where: bonds (distance) C4'-P energy: -117.266 bonds (distance) P-C4' energy: -131.868 flat angles C4'-P-C4' energy: -133.449 flat angles P-C4'-P energy: -85.493 tors. eta vs tors. theta energy: -148.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1680.720883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.720883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.720883 (E_RNA) where: Base-Base interactions energy: -1085.311 where: short stacking energy: -504.943 Base-Backbone interact. energy: 1.124 local terms energy: -596.533190 where: bonds (distance) C4'-P energy: -121.042 bonds (distance) P-C4' energy: -129.251 flat angles C4'-P-C4' energy: -128.641 flat angles P-C4'-P energy: -83.364 tors. eta vs tors. theta energy: -134.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1505.094041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.094041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.094041 (E_RNA) where: Base-Base interactions energy: -982.811 where: short stacking energy: -449.705 Base-Backbone interact. energy: -0.719 local terms energy: -521.563959 where: bonds (distance) C4'-P energy: -122.257 bonds (distance) P-C4' energy: -106.275 flat angles C4'-P-C4' energy: -132.520 flat angles P-C4'-P energy: -60.494 tors. eta vs tors. theta energy: -100.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -790.845920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.845920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.845920 (E_RNA) where: Base-Base interactions energy: -395.509 where: short stacking energy: -231.711 Base-Backbone interact. energy: -0.787 local terms energy: -394.549747 where: bonds (distance) C4'-P energy: -118.309 bonds (distance) P-C4' energy: -132.927 flat angles C4'-P-C4' energy: -105.028 flat angles P-C4'-P energy: -42.296 tors. eta vs tors. theta energy: 4.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -570.598228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.598228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.598228 (E_RNA) where: Base-Base interactions energy: -193.353 where: short stacking energy: -156.337 Base-Backbone interact. energy: 0.524 local terms energy: -377.769159 where: bonds (distance) C4'-P energy: -124.309 bonds (distance) P-C4' energy: -119.291 flat angles C4'-P-C4' energy: -97.010 flat angles P-C4'-P energy: -53.566 tors. eta vs tors. theta energy: 16.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2695.293174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.293174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.293174 (E_RNA) where: Base-Base interactions energy: -1876.923 where: short stacking energy: -790.873 Base-Backbone interact. energy: -1.067 local terms energy: -817.302715 where: bonds (distance) C4'-P energy: -151.853 bonds (distance) P-C4' energy: -138.339 flat angles C4'-P-C4' energy: -178.224 flat angles P-C4'-P energy: -118.974 tors. eta vs tors. theta energy: -229.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2516.159407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.159407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.159407 (E_RNA) where: Base-Base interactions energy: -1743.156 where: short stacking energy: -745.193 Base-Backbone interact. energy: -5.624 local terms energy: -767.379491 where: bonds (distance) C4'-P energy: -141.413 bonds (distance) P-C4' energy: -157.378 flat angles C4'-P-C4' energy: -155.701 flat angles P-C4'-P energy: -102.497 tors. eta vs tors. theta energy: -210.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2438.102328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.102328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.102328 (E_RNA) where: Base-Base interactions energy: -1666.386 where: short stacking energy: -726.999 Base-Backbone interact. energy: -3.156 local terms energy: -768.559964 where: bonds (distance) C4'-P energy: -135.870 bonds (distance) P-C4' energy: -145.244 flat angles C4'-P-C4' energy: -159.098 flat angles P-C4'-P energy: -102.201 tors. eta vs tors. theta energy: -226.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2314.373272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.373272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.373272 (E_RNA) where: Base-Base interactions energy: -1591.514 where: short stacking energy: -689.317 Base-Backbone interact. energy: -2.670 local terms energy: -720.190196 where: bonds (distance) C4'-P energy: -128.927 bonds (distance) P-C4' energy: -144.811 flat angles C4'-P-C4' energy: -152.803 flat angles P-C4'-P energy: -101.230 tors. eta vs tors. theta energy: -192.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2074.373872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.373872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.373872 (E_RNA) where: Base-Base interactions energy: -1407.533 where: short stacking energy: -579.176 Base-Backbone interact. energy: -0.976 local terms energy: -665.865238 where: bonds (distance) C4'-P energy: -125.106 bonds (distance) P-C4' energy: -127.183 flat angles C4'-P-C4' energy: -158.816 flat angles P-C4'-P energy: -106.102 tors. eta vs tors. theta energy: -148.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1941.392983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.392983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.392983 (E_RNA) where: Base-Base interactions energy: -1279.765 where: short stacking energy: -566.998 Base-Backbone interact. energy: -0.097 local terms energy: -661.530724 where: bonds (distance) C4'-P energy: -147.011 bonds (distance) P-C4' energy: -149.256 flat angles C4'-P-C4' energy: -140.071 flat angles P-C4'-P energy: -86.650 tors. eta vs tors. theta energy: -138.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1628.605701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.605701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.605701 (E_RNA) where: Base-Base interactions energy: -1077.357 where: short stacking energy: -494.223 Base-Backbone interact. energy: 3.296 local terms energy: -554.545010 where: bonds (distance) C4'-P energy: -113.441 bonds (distance) P-C4' energy: -120.551 flat angles C4'-P-C4' energy: -130.163 flat angles P-C4'-P energy: -80.870 tors. eta vs tors. theta energy: -109.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1440.231476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.231476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.231476 (E_RNA) where: Base-Base interactions energy: -911.235 where: short stacking energy: -436.349 Base-Backbone interact. energy: 1.541 local terms energy: -530.537055 where: bonds (distance) C4'-P energy: -122.867 bonds (distance) P-C4' energy: -120.210 flat angles C4'-P-C4' energy: -119.407 flat angles P-C4'-P energy: -79.529 tors. eta vs tors. theta energy: -88.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -820.015845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.015845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.015845 (E_RNA) where: Base-Base interactions energy: -374.832 where: short stacking energy: -229.655 Base-Backbone interact. energy: 1.005 local terms energy: -446.188599 where: bonds (distance) C4'-P energy: -107.810 bonds (distance) P-C4' energy: -146.456 flat angles C4'-P-C4' energy: -106.179 flat angles P-C4'-P energy: -74.895 tors. eta vs tors. theta energy: -10.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -574.671587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.671587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.671587 (E_RNA) where: Base-Base interactions energy: -208.246 where: short stacking energy: -168.382 Base-Backbone interact. energy: -0.794 local terms energy: -365.631920 where: bonds (distance) C4'-P energy: -107.989 bonds (distance) P-C4' energy: -132.808 flat angles C4'-P-C4' energy: -97.948 flat angles P-C4'-P energy: -44.390 tors. eta vs tors. theta energy: 17.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2669.340326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.340326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.340326 (E_RNA) where: Base-Base interactions energy: -1851.479 where: short stacking energy: -767.777 Base-Backbone interact. energy: -2.531 local terms energy: -815.330430 where: bonds (distance) C4'-P energy: -144.795 bonds (distance) P-C4' energy: -161.122 flat angles C4'-P-C4' energy: -165.995 flat angles P-C4'-P energy: -124.477 tors. eta vs tors. theta energy: -218.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2532.620675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.620675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.620675 (E_RNA) where: Base-Base interactions energy: -1753.997 where: short stacking energy: -728.347 Base-Backbone interact. energy: -2.714 local terms energy: -775.909632 where: bonds (distance) C4'-P energy: -146.013 bonds (distance) P-C4' energy: -156.830 flat angles C4'-P-C4' energy: -162.206 flat angles P-C4'-P energy: -104.168 tors. eta vs tors. theta energy: -206.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2456.816692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.816692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.816692 (E_RNA) where: Base-Base interactions energy: -1688.159 where: short stacking energy: -732.979 Base-Backbone interact. energy: -0.569 local terms energy: -768.088246 where: bonds (distance) C4'-P energy: -122.061 bonds (distance) P-C4' energy: -151.512 flat angles C4'-P-C4' energy: -157.587 flat angles P-C4'-P energy: -112.351 tors. eta vs tors. theta energy: -224.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2285.246281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.246281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.246281 (E_RNA) where: Base-Base interactions energy: -1562.416 where: short stacking energy: -693.812 Base-Backbone interact. energy: -3.464 local terms energy: -719.366282 where: bonds (distance) C4'-P energy: -130.712 bonds (distance) P-C4' energy: -146.301 flat angles C4'-P-C4' energy: -145.208 flat angles P-C4'-P energy: -97.755 tors. eta vs tors. theta energy: -199.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2101.152150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.152150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.152150 (E_RNA) where: Base-Base interactions energy: -1383.415 where: short stacking energy: -593.461 Base-Backbone interact. energy: -0.174 local terms energy: -717.562819 where: bonds (distance) C4'-P energy: -138.939 bonds (distance) P-C4' energy: -153.703 flat angles C4'-P-C4' energy: -161.375 flat angles P-C4'-P energy: -97.083 tors. eta vs tors. theta energy: -166.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1911.924866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.924866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.924866 (E_RNA) where: Base-Base interactions energy: -1288.312 where: short stacking energy: -542.249 Base-Backbone interact. energy: -1.591 local terms energy: -622.021846 where: bonds (distance) C4'-P energy: -119.151 bonds (distance) P-C4' energy: -129.118 flat angles C4'-P-C4' energy: -142.662 flat angles P-C4'-P energy: -84.861 tors. eta vs tors. theta energy: -146.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1645.254453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.254453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.254453 (E_RNA) where: Base-Base interactions energy: -1058.057 where: short stacking energy: -460.125 Base-Backbone interact. energy: -3.211 local terms energy: -583.986708 where: bonds (distance) C4'-P energy: -127.306 bonds (distance) P-C4' energy: -125.285 flat angles C4'-P-C4' energy: -133.246 flat angles P-C4'-P energy: -101.491 tors. eta vs tors. theta energy: -96.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1393.837937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.837937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.837937 (E_RNA) where: Base-Base interactions energy: -885.511 where: short stacking energy: -391.474 Base-Backbone interact. energy: 3.360 local terms energy: -511.687069 where: bonds (distance) C4'-P energy: -122.444 bonds (distance) P-C4' energy: -125.451 flat angles C4'-P-C4' energy: -130.436 flat angles P-C4'-P energy: -69.185 tors. eta vs tors. theta energy: -64.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -820.879084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.879084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.879084 (E_RNA) where: Base-Base interactions energy: -433.122 where: short stacking energy: -253.896 Base-Backbone interact. energy: 1.223 local terms energy: -388.979951 where: bonds (distance) C4'-P energy: -105.631 bonds (distance) P-C4' energy: -115.542 flat angles C4'-P-C4' energy: -106.966 flat angles P-C4'-P energy: -50.742 tors. eta vs tors. theta energy: -10.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -561.547513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.547513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.547513 (E_RNA) where: Base-Base interactions energy: -194.690 where: short stacking energy: -168.971 Base-Backbone interact. energy: 1.257 local terms energy: -368.114820 where: bonds (distance) C4'-P energy: -97.831 bonds (distance) P-C4' energy: -142.249 flat angles C4'-P-C4' energy: -103.047 flat angles P-C4'-P energy: -53.553 tors. eta vs tors. theta energy: 28.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2647.157700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.157700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.157700 (E_RNA) where: Base-Base interactions energy: -1853.932 where: short stacking energy: -747.391 Base-Backbone interact. energy: -2.104 local terms energy: -791.121764 where: bonds (distance) C4'-P energy: -147.662 bonds (distance) P-C4' energy: -144.797 flat angles C4'-P-C4' energy: -169.254 flat angles P-C4'-P energy: -104.997 tors. eta vs tors. theta energy: -224.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2542.445345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.445345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.445345 (E_RNA) where: Base-Base interactions energy: -1773.257 where: short stacking energy: -753.620 Base-Backbone interact. energy: -3.785 local terms energy: -765.402788 where: bonds (distance) C4'-P energy: -139.602 bonds (distance) P-C4' energy: -147.736 flat angles C4'-P-C4' energy: -159.444 flat angles P-C4'-P energy: -95.937 tors. eta vs tors. theta energy: -222.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2417.763647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.763647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.763647 (E_RNA) where: Base-Base interactions energy: -1678.591 where: short stacking energy: -728.983 Base-Backbone interact. energy: -2.411 local terms energy: -736.761340 where: bonds (distance) C4'-P energy: -132.331 bonds (distance) P-C4' energy: -132.747 flat angles C4'-P-C4' energy: -160.656 flat angles P-C4'-P energy: -90.593 tors. eta vs tors. theta energy: -220.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2298.268348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.268348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.268348 (E_RNA) where: Base-Base interactions energy: -1573.743 where: short stacking energy: -674.921 Base-Backbone interact. energy: -1.478 local terms energy: -723.047306 where: bonds (distance) C4'-P energy: -130.405 bonds (distance) P-C4' energy: -149.831 flat angles C4'-P-C4' energy: -153.419 flat angles P-C4'-P energy: -105.537 tors. eta vs tors. theta energy: -183.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2100.659527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.659527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.659527 (E_RNA) where: Base-Base interactions energy: -1445.981 where: short stacking energy: -633.277 Base-Backbone interact. energy: 1.364 local terms energy: -656.042365 where: bonds (distance) C4'-P energy: -118.405 bonds (distance) P-C4' energy: -143.685 flat angles C4'-P-C4' energy: -150.100 flat angles P-C4'-P energy: -73.158 tors. eta vs tors. theta energy: -170.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1922.513441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.513441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.513441 (E_RNA) where: Base-Base interactions energy: -1283.247 where: short stacking energy: -551.992 Base-Backbone interact. energy: 3.252 local terms energy: -642.518285 where: bonds (distance) C4'-P energy: -118.658 bonds (distance) P-C4' energy: -148.381 flat angles C4'-P-C4' energy: -144.144 flat angles P-C4'-P energy: -77.283 tors. eta vs tors. theta energy: -154.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1685.103180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.103180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.103180 (E_RNA) where: Base-Base interactions energy: -1097.770 where: short stacking energy: -491.736 Base-Backbone interact. energy: -2.959 local terms energy: -584.375137 where: bonds (distance) C4'-P energy: -112.683 bonds (distance) P-C4' energy: -114.500 flat angles C4'-P-C4' energy: -142.040 flat angles P-C4'-P energy: -107.718 tors. eta vs tors. theta energy: -107.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1394.325921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.325921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.325921 (E_RNA) where: Base-Base interactions energy: -871.902 where: short stacking energy: -398.885 Base-Backbone interact. energy: 0.033 local terms energy: -522.457450 where: bonds (distance) C4'-P energy: -126.554 bonds (distance) P-C4' energy: -118.232 flat angles C4'-P-C4' energy: -123.574 flat angles P-C4'-P energy: -67.837 tors. eta vs tors. theta energy: -86.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -814.265124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.265124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.265124 (E_RNA) where: Base-Base interactions energy: -374.707 where: short stacking energy: -219.223 Base-Backbone interact. energy: -2.560 local terms energy: -436.998922 where: bonds (distance) C4'-P energy: -116.905 bonds (distance) P-C4' energy: -130.955 flat angles C4'-P-C4' energy: -101.812 flat angles P-C4'-P energy: -72.867 tors. eta vs tors. theta energy: -14.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -553.537138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.537138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.537138 (E_RNA) where: Base-Base interactions energy: -216.247 where: short stacking energy: -160.320 Base-Backbone interact. energy: 16.250 local terms energy: -353.539884 where: bonds (distance) C4'-P energy: -112.574 bonds (distance) P-C4' energy: -120.909 flat angles C4'-P-C4' energy: -85.120 flat angles P-C4'-P energy: -48.477 tors. eta vs tors. theta energy: 13.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2646.636346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.636346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.636346 (E_RNA) where: Base-Base interactions energy: -1849.617 where: short stacking energy: -777.617 Base-Backbone interact. energy: -2.682 local terms energy: -794.337867 where: bonds (distance) C4'-P energy: -155.059 bonds (distance) P-C4' energy: -154.675 flat angles C4'-P-C4' energy: -163.641 flat angles P-C4'-P energy: -96.699 tors. eta vs tors. theta energy: -224.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2527.453962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.453962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.453962 (E_RNA) where: Base-Base interactions energy: -1768.258 where: short stacking energy: -777.924 Base-Backbone interact. energy: 1.574 local terms energy: -760.769781 where: bonds (distance) C4'-P energy: -136.602 bonds (distance) P-C4' energy: -133.405 flat angles C4'-P-C4' energy: -166.860 flat angles P-C4'-P energy: -113.141 tors. eta vs tors. theta energy: -210.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2431.028678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.028678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.028678 (E_RNA) where: Base-Base interactions energy: -1643.971 where: short stacking energy: -702.215 Base-Backbone interact. energy: -2.558 local terms energy: -784.499750 where: bonds (distance) C4'-P energy: -142.403 bonds (distance) P-C4' energy: -143.027 flat angles C4'-P-C4' energy: -168.364 flat angles P-C4'-P energy: -126.471 tors. eta vs tors. theta energy: -204.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2311.053022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.053022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.053022 (E_RNA) where: Base-Base interactions energy: -1581.096 where: short stacking energy: -699.343 Base-Backbone interact. energy: -2.716 local terms energy: -727.241838 where: bonds (distance) C4'-P energy: -120.755 bonds (distance) P-C4' energy: -132.596 flat angles C4'-P-C4' energy: -153.631 flat angles P-C4'-P energy: -113.730 tors. eta vs tors. theta energy: -206.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2059.076938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.076938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.076938 (E_RNA) where: Base-Base interactions energy: -1410.538 where: short stacking energy: -605.015 Base-Backbone interact. energy: -1.161 local terms energy: -647.377376 where: bonds (distance) C4'-P energy: -131.048 bonds (distance) P-C4' energy: -135.969 flat angles C4'-P-C4' energy: -129.462 flat angles P-C4'-P energy: -90.442 tors. eta vs tors. theta energy: -160.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1948.109650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.109650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.109650 (E_RNA) where: Base-Base interactions energy: -1329.679 where: short stacking energy: -596.239 Base-Backbone interact. energy: -2.465 local terms energy: -615.965679 where: bonds (distance) C4'-P energy: -119.813 bonds (distance) P-C4' energy: -115.239 flat angles C4'-P-C4' energy: -151.584 flat angles P-C4'-P energy: -80.786 tors. eta vs tors. theta energy: -148.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1686.580915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.580915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.580915 (E_RNA) where: Base-Base interactions energy: -1112.574 where: short stacking energy: -496.082 Base-Backbone interact. energy: 0.112 local terms energy: -574.118920 where: bonds (distance) C4'-P energy: -136.376 bonds (distance) P-C4' energy: -125.542 flat angles C4'-P-C4' energy: -127.674 flat angles P-C4'-P energy: -68.120 tors. eta vs tors. theta energy: -116.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1451.979377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.979377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.979377 (E_RNA) where: Base-Base interactions energy: -911.923 where: short stacking energy: -402.216 Base-Backbone interact. energy: -3.549 local terms energy: -536.507355 where: bonds (distance) C4'-P energy: -124.549 bonds (distance) P-C4' energy: -139.500 flat angles C4'-P-C4' energy: -120.461 flat angles P-C4'-P energy: -73.133 tors. eta vs tors. theta energy: -78.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -868.133392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.133392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.133392 (E_RNA) where: Base-Base interactions energy: -422.112 where: short stacking energy: -245.641 Base-Backbone interact. energy: -1.299 local terms energy: -445.194585 where: bonds (distance) C4'-P energy: -134.385 bonds (distance) P-C4' energy: -129.039 flat angles C4'-P-C4' energy: -100.374 flat angles P-C4'-P energy: -61.319 tors. eta vs tors. theta energy: -20.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.472 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -570.732730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.732730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.732730 (E_RNA) where: Base-Base interactions energy: -221.076 where: short stacking energy: -170.860 Base-Backbone interact. energy: 6.906 local terms energy: -356.562183 where: bonds (distance) C4'-P energy: -92.569 bonds (distance) P-C4' energy: -129.095 flat angles C4'-P-C4' energy: -102.747 flat angles P-C4'-P energy: -54.941 tors. eta vs tors. theta energy: 22.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2651.961500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.961500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.961500 (E_RNA) where: Base-Base interactions energy: -1849.614 where: short stacking energy: -780.183 Base-Backbone interact. energy: -1.937 local terms energy: -800.410272 where: bonds (distance) C4'-P energy: -142.648 bonds (distance) P-C4' energy: -148.190 flat angles C4'-P-C4' energy: -163.376 flat angles P-C4'-P energy: -112.726 tors. eta vs tors. theta energy: -233.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2566.537707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.537707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.537707 (E_RNA) where: Base-Base interactions energy: -1763.316 where: short stacking energy: -736.191 Base-Backbone interact. energy: -1.338 local terms energy: -801.883707 where: bonds (distance) C4'-P energy: -150.816 bonds (distance) P-C4' energy: -159.298 flat angles C4'-P-C4' energy: -164.836 flat angles P-C4'-P energy: -108.558 tors. eta vs tors. theta energy: -218.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2410.718553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.718553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.718553 (E_RNA) where: Base-Base interactions energy: -1650.237 where: short stacking energy: -725.183 Base-Backbone interact. energy: -5.538 local terms energy: -754.944020 where: bonds (distance) C4'-P energy: -133.523 bonds (distance) P-C4' energy: -129.783 flat angles C4'-P-C4' energy: -164.598 flat angles P-C4'-P energy: -114.799 tors. eta vs tors. theta energy: -212.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2271.254239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.254239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.254239 (E_RNA) where: Base-Base interactions energy: -1555.181 where: short stacking energy: -680.487 Base-Backbone interact. energy: 4.231 local terms energy: -720.303896 where: bonds (distance) C4'-P energy: -120.901 bonds (distance) P-C4' energy: -134.506 flat angles C4'-P-C4' energy: -162.214 flat angles P-C4'-P energy: -99.294 tors. eta vs tors. theta energy: -203.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2014.531138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.531138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.531138 (E_RNA) where: Base-Base interactions energy: -1347.121 where: short stacking energy: -577.718 Base-Backbone interact. energy: -3.531 local terms energy: -663.879902 where: bonds (distance) C4'-P energy: -133.819 bonds (distance) P-C4' energy: -111.870 flat angles C4'-P-C4' energy: -155.591 flat angles P-C4'-P energy: -107.225 tors. eta vs tors. theta energy: -155.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1936.767838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.767838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.767838 (E_RNA) where: Base-Base interactions energy: -1321.439 where: short stacking energy: -575.042 Base-Backbone interact. energy: -5.457 local terms energy: -609.871116 where: bonds (distance) C4'-P energy: -112.755 bonds (distance) P-C4' energy: -121.608 flat angles C4'-P-C4' energy: -140.151 flat angles P-C4'-P energy: -87.978 tors. eta vs tors. theta energy: -147.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1724.972657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.972657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.972657 (E_RNA) where: Base-Base interactions energy: -1114.257 where: short stacking energy: -502.075 Base-Backbone interact. energy: -1.548 local terms energy: -609.167703 where: bonds (distance) C4'-P energy: -128.173 bonds (distance) P-C4' energy: -135.507 flat angles C4'-P-C4' energy: -130.827 flat angles P-C4'-P energy: -81.597 tors. eta vs tors. theta energy: -133.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1364.277634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.277634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.277634 (E_RNA) where: Base-Base interactions energy: -838.157 where: short stacking energy: -380.515 Base-Backbone interact. energy: 4.548 local terms energy: -530.668584 where: bonds (distance) C4'-P energy: -99.556 bonds (distance) P-C4' energy: -148.978 flat angles C4'-P-C4' energy: -135.109 flat angles P-C4'-P energy: -76.944 tors. eta vs tors. theta energy: -70.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -851.620140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.620140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.620140 (E_RNA) where: Base-Base interactions energy: -396.804 where: short stacking energy: -258.913 Base-Backbone interact. energy: 2.342 local terms energy: -457.158269 where: bonds (distance) C4'-P energy: -118.802 bonds (distance) P-C4' energy: -122.441 flat angles C4'-P-C4' energy: -107.560 flat angles P-C4'-P energy: -77.915 tors. eta vs tors. theta energy: -30.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -586.254472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.254472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.254472 (E_RNA) where: Base-Base interactions energy: -215.871 where: short stacking energy: -183.141 Base-Backbone interact. energy: 7.628 local terms energy: -378.011517 where: bonds (distance) C4'-P energy: -107.393 bonds (distance) P-C4' energy: -101.103 flat angles C4'-P-C4' energy: -118.097 flat angles P-C4'-P energy: -67.075 tors. eta vs tors. theta energy: 15.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2639.207261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.207261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.207261 (E_RNA) where: Base-Base interactions energy: -1837.764 where: short stacking energy: -773.938 Base-Backbone interact. energy: -0.022 local terms energy: -801.421154 where: bonds (distance) C4'-P energy: -152.589 bonds (distance) P-C4' energy: -140.666 flat angles C4'-P-C4' energy: -167.696 flat angles P-C4'-P energy: -108.933 tors. eta vs tors. theta energy: -231.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2530.818486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.818486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.818486 (E_RNA) where: Base-Base interactions energy: -1762.655 where: short stacking energy: -736.682 Base-Backbone interact. energy: -1.919 local terms energy: -766.244639 where: bonds (distance) C4'-P energy: -135.189 bonds (distance) P-C4' energy: -144.512 flat angles C4'-P-C4' energy: -162.926 flat angles P-C4'-P energy: -113.467 tors. eta vs tors. theta energy: -210.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2388.313269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.313269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.313269 (E_RNA) where: Base-Base interactions energy: -1624.852 where: short stacking energy: -716.956 Base-Backbone interact. energy: 1.859 local terms energy: -765.320449 where: bonds (distance) C4'-P energy: -136.379 bonds (distance) P-C4' energy: -143.728 flat angles C4'-P-C4' energy: -162.994 flat angles P-C4'-P energy: -109.457 tors. eta vs tors. theta energy: -212.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2237.608010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.608010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.608010 (E_RNA) where: Base-Base interactions energy: -1516.250 where: short stacking energy: -687.120 Base-Backbone interact. energy: 3.138 local terms energy: -724.496550 where: bonds (distance) C4'-P energy: -133.640 bonds (distance) P-C4' energy: -133.993 flat angles C4'-P-C4' energy: -155.852 flat angles P-C4'-P energy: -113.326 tors. eta vs tors. theta energy: -187.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2017.929989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.929989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.929989 (E_RNA) where: Base-Base interactions energy: -1348.113 where: short stacking energy: -595.869 Base-Backbone interact. energy: 0.217 local terms energy: -670.033795 where: bonds (distance) C4'-P energy: -123.839 bonds (distance) P-C4' energy: -125.829 flat angles C4'-P-C4' energy: -160.941 flat angles P-C4'-P energy: -87.125 tors. eta vs tors. theta energy: -172.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1997.655224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.655224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.655224 (E_RNA) where: Base-Base interactions energy: -1332.457 where: short stacking energy: -568.269 Base-Backbone interact. energy: 2.598 local terms energy: -667.796143 where: bonds (distance) C4'-P energy: -131.119 bonds (distance) P-C4' energy: -130.530 flat angles C4'-P-C4' energy: -156.456 flat angles P-C4'-P energy: -105.478 tors. eta vs tors. theta energy: -144.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1860.883400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.883400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.883400 (E_RNA) where: Base-Base interactions energy: -1231.617 where: short stacking energy: -542.687 Base-Backbone interact. energy: -0.856 local terms energy: -628.411094 where: bonds (distance) C4'-P energy: -117.750 bonds (distance) P-C4' energy: -122.775 flat angles C4'-P-C4' energy: -147.797 flat angles P-C4'-P energy: -92.518 tors. eta vs tors. theta energy: -147.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1408.867700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.867700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.867700 (E_RNA) where: Base-Base interactions energy: -903.063 where: short stacking energy: -416.754 Base-Backbone interact. energy: -0.223 local terms energy: -505.581246 where: bonds (distance) C4'-P energy: -107.397 bonds (distance) P-C4' energy: -112.317 flat angles C4'-P-C4' energy: -126.156 flat angles P-C4'-P energy: -79.769 tors. eta vs tors. theta energy: -79.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -902.224173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.224173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.224173 (E_RNA) where: Base-Base interactions energy: -470.159 where: short stacking energy: -254.139 Base-Backbone interact. energy: 8.604 local terms energy: -440.669138 where: bonds (distance) C4'-P energy: -114.341 bonds (distance) P-C4' energy: -138.393 flat angles C4'-P-C4' energy: -106.945 flat angles P-C4'-P energy: -74.075 tors. eta vs tors. theta energy: -6.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -593.390529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.390529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.390529 (E_RNA) where: Base-Base interactions energy: -191.947 where: short stacking energy: -164.773 Base-Backbone interact. energy: -0.417 local terms energy: -401.026709 where: bonds (distance) C4'-P energy: -133.350 bonds (distance) P-C4' energy: -122.712 flat angles C4'-P-C4' energy: -105.065 flat angles P-C4'-P energy: -67.574 tors. eta vs tors. theta energy: 27.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2657.424957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.424957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.424957 (E_RNA) where: Base-Base interactions energy: -1866.556 where: short stacking energy: -782.716 Base-Backbone interact. energy: 2.208 local terms energy: -793.076968 where: bonds (distance) C4'-P energy: -136.931 bonds (distance) P-C4' energy: -158.540 flat angles C4'-P-C4' energy: -154.449 flat angles P-C4'-P energy: -113.374 tors. eta vs tors. theta energy: -229.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2524.493447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.493447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.493447 (E_RNA) where: Base-Base interactions energy: -1757.242 where: short stacking energy: -754.086 Base-Backbone interact. energy: -3.150 local terms energy: -764.101634 where: bonds (distance) C4'-P energy: -139.656 bonds (distance) P-C4' energy: -162.244 flat angles C4'-P-C4' energy: -148.156 flat angles P-C4'-P energy: -117.372 tors. eta vs tors. theta energy: -196.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2382.442861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.442861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.442861 (E_RNA) where: Base-Base interactions energy: -1648.296 where: short stacking energy: -688.354 Base-Backbone interact. energy: 0.156 local terms energy: -734.303220 where: bonds (distance) C4'-P energy: -140.678 bonds (distance) P-C4' energy: -142.044 flat angles C4'-P-C4' energy: -158.744 flat angles P-C4'-P energy: -88.290 tors. eta vs tors. theta energy: -204.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2294.512669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.512669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.512669 (E_RNA) where: Base-Base interactions energy: -1553.538 where: short stacking energy: -682.682 Base-Backbone interact. energy: -2.462 local terms energy: -738.513072 where: bonds (distance) C4'-P energy: -130.471 bonds (distance) P-C4' energy: -146.140 flat angles C4'-P-C4' energy: -142.772 flat angles P-C4'-P energy: -99.982 tors. eta vs tors. theta energy: -219.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2072.935877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.935877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.935877 (E_RNA) where: Base-Base interactions energy: -1381.876 where: short stacking energy: -631.555 Base-Backbone interact. energy: -2.940 local terms energy: -688.120017 where: bonds (distance) C4'-P energy: -119.834 bonds (distance) P-C4' energy: -136.836 flat angles C4'-P-C4' energy: -149.212 flat angles P-C4'-P energy: -102.743 tors. eta vs tors. theta energy: -179.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1999.044089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.044089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.044089 (E_RNA) where: Base-Base interactions energy: -1362.803 where: short stacking energy: -572.097 Base-Backbone interact. energy: 1.515 local terms energy: -637.755670 where: bonds (distance) C4'-P energy: -137.051 bonds (distance) P-C4' energy: -132.681 flat angles C4'-P-C4' energy: -125.563 flat angles P-C4'-P energy: -89.441 tors. eta vs tors. theta energy: -153.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1792.805474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.805474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.805474 (E_RNA) where: Base-Base interactions energy: -1185.722 where: short stacking energy: -545.116 Base-Backbone interact. energy: -1.058 local terms energy: -606.025890 where: bonds (distance) C4'-P energy: -128.998 bonds (distance) P-C4' energy: -126.179 flat angles C4'-P-C4' energy: -137.659 flat angles P-C4'-P energy: -86.325 tors. eta vs tors. theta energy: -126.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1437.110918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.110918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.110918 (E_RNA) where: Base-Base interactions energy: -921.762 where: short stacking energy: -393.023 Base-Backbone interact. energy: -0.554 local terms energy: -514.794757 where: bonds (distance) C4'-P energy: -103.580 bonds (distance) P-C4' energy: -122.765 flat angles C4'-P-C4' energy: -126.626 flat angles P-C4'-P energy: -85.913 tors. eta vs tors. theta energy: -75.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -933.315816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.315816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.315816 (E_RNA) where: Base-Base interactions energy: -479.875 where: short stacking energy: -274.091 Base-Backbone interact. energy: -4.026 local terms energy: -449.414501 where: bonds (distance) C4'-P energy: -117.976 bonds (distance) P-C4' energy: -149.543 flat angles C4'-P-C4' energy: -96.095 flat angles P-C4'-P energy: -69.533 tors. eta vs tors. theta energy: -16.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -645.918992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.918992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.918992 (E_RNA) where: Base-Base interactions energy: -254.767 where: short stacking energy: -172.670 Base-Backbone interact. energy: 2.366 local terms energy: -393.517985 where: bonds (distance) C4'-P energy: -106.628 bonds (distance) P-C4' energy: -139.302 flat angles C4'-P-C4' energy: -86.161 flat angles P-C4'-P energy: -64.192 tors. eta vs tors. theta energy: 2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2675.920132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.920132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.920132 (E_RNA) where: Base-Base interactions energy: -1864.516 where: short stacking energy: -784.023 Base-Backbone interact. energy: 4.674 local terms energy: -816.078591 where: bonds (distance) C4'-P energy: -151.611 bonds (distance) P-C4' energy: -147.699 flat angles C4'-P-C4' energy: -171.583 flat angles P-C4'-P energy: -118.330 tors. eta vs tors. theta energy: -226.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2518.756459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.756459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.756459 (E_RNA) where: Base-Base interactions energy: -1717.579 where: short stacking energy: -724.006 Base-Backbone interact. energy: -2.338 local terms energy: -798.839627 where: bonds (distance) C4'-P energy: -153.796 bonds (distance) P-C4' energy: -140.257 flat angles C4'-P-C4' energy: -174.632 flat angles P-C4'-P energy: -113.392 tors. eta vs tors. theta energy: -216.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2406.962052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.962052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.962052 (E_RNA) where: Base-Base interactions energy: -1633.340 where: short stacking energy: -709.939 Base-Backbone interact. energy: -4.848 local terms energy: -768.774132 where: bonds (distance) C4'-P energy: -130.531 bonds (distance) P-C4' energy: -151.726 flat angles C4'-P-C4' energy: -151.314 flat angles P-C4'-P energy: -118.625 tors. eta vs tors. theta energy: -216.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2260.183096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.183096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.183096 (E_RNA) where: Base-Base interactions energy: -1529.271 where: short stacking energy: -643.697 Base-Backbone interact. energy: -0.292 local terms energy: -730.619474 where: bonds (distance) C4'-P energy: -142.286 bonds (distance) P-C4' energy: -133.219 flat angles C4'-P-C4' energy: -149.081 flat angles P-C4'-P energy: -107.736 tors. eta vs tors. theta energy: -198.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2023.746909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.746909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.746909 (E_RNA) where: Base-Base interactions energy: -1354.809 where: short stacking energy: -630.896 Base-Backbone interact. energy: -2.797 local terms energy: -666.140735 where: bonds (distance) C4'-P energy: -110.283 bonds (distance) P-C4' energy: -133.278 flat angles C4'-P-C4' energy: -151.673 flat angles P-C4'-P energy: -98.346 tors. eta vs tors. theta energy: -172.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1913.287727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.287727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.287727 (E_RNA) where: Base-Base interactions energy: -1262.292 where: short stacking energy: -563.806 Base-Backbone interact. energy: -4.461 local terms energy: -646.535255 where: bonds (distance) C4'-P energy: -124.710 bonds (distance) P-C4' energy: -150.967 flat angles C4'-P-C4' energy: -142.338 flat angles P-C4'-P energy: -83.308 tors. eta vs tors. theta energy: -145.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1760.543904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.543904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.543904 (E_RNA) where: Base-Base interactions energy: -1178.396 where: short stacking energy: -484.384 Base-Backbone interact. energy: -1.830 local terms energy: -580.317444 where: bonds (distance) C4'-P energy: -124.020 bonds (distance) P-C4' energy: -111.513 flat angles C4'-P-C4' energy: -134.772 flat angles P-C4'-P energy: -87.729 tors. eta vs tors. theta energy: -122.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1326.105679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.105679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.105679 (E_RNA) where: Base-Base interactions energy: -831.914 where: short stacking energy: -384.766 Base-Backbone interact. energy: 3.466 local terms energy: -497.657022 where: bonds (distance) C4'-P energy: -120.723 bonds (distance) P-C4' energy: -127.379 flat angles C4'-P-C4' energy: -116.904 flat angles P-C4'-P energy: -77.256 tors. eta vs tors. theta energy: -55.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -853.244117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.244117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.244117 (E_RNA) where: Base-Base interactions energy: -440.503 where: short stacking energy: -236.422 Base-Backbone interact. energy: -3.274 local terms energy: -409.466827 where: bonds (distance) C4'-P energy: -125.910 bonds (distance) P-C4' energy: -98.444 flat angles C4'-P-C4' energy: -118.462 flat angles P-C4'-P energy: -60.440 tors. eta vs tors. theta energy: -6.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -658.139385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.139385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.139385 (E_RNA) where: Base-Base interactions energy: -289.488 where: short stacking energy: -185.839 Base-Backbone interact. energy: 3.208 local terms energy: -371.858893 where: bonds (distance) C4'-P energy: -101.032 bonds (distance) P-C4' energy: -131.033 flat angles C4'-P-C4' energy: -90.178 flat angles P-C4'-P energy: -67.547 tors. eta vs tors. theta energy: 17.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2652.991184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.991184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.991184 (E_RNA) where: Base-Base interactions energy: -1846.343 where: short stacking energy: -781.759 Base-Backbone interact. energy: -1.432 local terms energy: -805.216793 where: bonds (distance) C4'-P energy: -145.082 bonds (distance) P-C4' energy: -158.927 flat angles C4'-P-C4' energy: -163.404 flat angles P-C4'-P energy: -112.532 tors. eta vs tors. theta energy: -225.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2504.264085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.264085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.264085 (E_RNA) where: Base-Base interactions energy: -1708.954 where: short stacking energy: -706.547 Base-Backbone interact. energy: 1.813 local terms energy: -797.123058 where: bonds (distance) C4'-P energy: -143.946 bonds (distance) P-C4' energy: -153.342 flat angles C4'-P-C4' energy: -166.368 flat angles P-C4'-P energy: -115.761 tors. eta vs tors. theta energy: -217.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2387.205982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.205982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.205982 (E_RNA) where: Base-Base interactions energy: -1646.388 where: short stacking energy: -723.194 Base-Backbone interact. energy: -2.654 local terms energy: -738.163866 where: bonds (distance) C4'-P energy: -138.797 bonds (distance) P-C4' energy: -129.186 flat angles C4'-P-C4' energy: -159.168 flat angles P-C4'-P energy: -98.275 tors. eta vs tors. theta energy: -212.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2297.840908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.840908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.840908 (E_RNA) where: Base-Base interactions energy: -1613.966 where: short stacking energy: -654.588 Base-Backbone interact. energy: 4.904 local terms energy: -688.779742 where: bonds (distance) C4'-P energy: -128.954 bonds (distance) P-C4' energy: -133.917 flat angles C4'-P-C4' energy: -143.866 flat angles P-C4'-P energy: -98.498 tors. eta vs tors. theta energy: -183.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2019.398251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.398251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.398251 (E_RNA) where: Base-Base interactions energy: -1338.345 where: short stacking energy: -586.626 Base-Backbone interact. energy: -0.167 local terms energy: -680.886212 where: bonds (distance) C4'-P energy: -129.324 bonds (distance) P-C4' energy: -135.609 flat angles C4'-P-C4' energy: -153.998 flat angles P-C4'-P energy: -99.757 tors. eta vs tors. theta energy: -162.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1974.260115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.260115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.260115 (E_RNA) where: Base-Base interactions energy: -1321.843 where: short stacking energy: -568.259 Base-Backbone interact. energy: -0.080 local terms energy: -652.337008 where: bonds (distance) C4'-P energy: -118.655 bonds (distance) P-C4' energy: -122.058 flat angles C4'-P-C4' energy: -156.865 flat angles P-C4'-P energy: -110.889 tors. eta vs tors. theta energy: -143.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1774.337901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.337901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.337901 (E_RNA) where: Base-Base interactions energy: -1196.292 where: short stacking energy: -507.191 Base-Backbone interact. energy: -1.551 local terms energy: -576.494530 where: bonds (distance) C4'-P energy: -108.562 bonds (distance) P-C4' energy: -119.179 flat angles C4'-P-C4' energy: -136.937 flat angles P-C4'-P energy: -87.460 tors. eta vs tors. theta energy: -124.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1381.566713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.566713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.566713 (E_RNA) where: Base-Base interactions energy: -842.822 where: short stacking energy: -357.033 Base-Backbone interact. energy: 2.351 local terms energy: -541.095649 where: bonds (distance) C4'-P energy: -118.339 bonds (distance) P-C4' energy: -143.546 flat angles C4'-P-C4' energy: -123.106 flat angles P-C4'-P energy: -92.558 tors. eta vs tors. theta energy: -63.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -919.817472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.817472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.817472 (E_RNA) where: Base-Base interactions energy: -502.588 where: short stacking energy: -250.690 Base-Backbone interact. energy: -1.419 local terms energy: -415.809765 where: bonds (distance) C4'-P energy: -115.494 bonds (distance) P-C4' energy: -118.243 flat angles C4'-P-C4' energy: -92.808 flat angles P-C4'-P energy: -79.410 tors. eta vs tors. theta energy: -9.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -764.561173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.561173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.561173 (E_RNA) where: Base-Base interactions energy: -352.976 where: short stacking energy: -237.379 Base-Backbone interact. energy: 0.764 local terms energy: -412.349368 where: bonds (distance) C4'-P energy: -104.945 bonds (distance) P-C4' energy: -124.814 flat angles C4'-P-C4' energy: -119.205 flat angles P-C4'-P energy: -66.229 tors. eta vs tors. theta energy: 2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2678.774544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.774544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.774544 (E_RNA) where: Base-Base interactions energy: -1860.851 where: short stacking energy: -766.654 Base-Backbone interact. energy: -2.475 local terms energy: -815.448306 where: bonds (distance) C4'-P energy: -135.832 bonds (distance) P-C4' energy: -162.125 flat angles C4'-P-C4' energy: -170.527 flat angles P-C4'-P energy: -110.652 tors. eta vs tors. theta energy: -236.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2511.343478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.343478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.343478 (E_RNA) where: Base-Base interactions energy: -1729.645 where: short stacking energy: -735.147 Base-Backbone interact. energy: -2.253 local terms energy: -779.444911 where: bonds (distance) C4'-P energy: -147.110 bonds (distance) P-C4' energy: -134.674 flat angles C4'-P-C4' energy: -165.253 flat angles P-C4'-P energy: -114.328 tors. eta vs tors. theta energy: -218.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2423.530609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.530609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.530609 (E_RNA) where: Base-Base interactions energy: -1675.522 where: short stacking energy: -741.475 Base-Backbone interact. energy: -1.513 local terms energy: -746.495874 where: bonds (distance) C4'-P energy: -120.827 bonds (distance) P-C4' energy: -140.827 flat angles C4'-P-C4' energy: -167.798 flat angles P-C4'-P energy: -92.825 tors. eta vs tors. theta energy: -224.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2291.963623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.963623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.963623 (E_RNA) where: Base-Base interactions energy: -1580.767 where: short stacking energy: -663.794 Base-Backbone interact. energy: -0.975 local terms energy: -710.222189 where: bonds (distance) C4'-P energy: -132.233 bonds (distance) P-C4' energy: -125.303 flat angles C4'-P-C4' energy: -141.319 flat angles P-C4'-P energy: -112.427 tors. eta vs tors. theta energy: -198.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2039.164687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.164687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.164687 (E_RNA) where: Base-Base interactions energy: -1355.954 where: short stacking energy: -586.968 Base-Backbone interact. energy: -0.740 local terms energy: -682.471164 where: bonds (distance) C4'-P energy: -123.441 bonds (distance) P-C4' energy: -143.579 flat angles C4'-P-C4' energy: -150.578 flat angles P-C4'-P energy: -93.175 tors. eta vs tors. theta energy: -171.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1916.983730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.983730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.983730 (E_RNA) where: Base-Base interactions energy: -1294.976 where: short stacking energy: -545.577 Base-Backbone interact. energy: -2.274 local terms energy: -619.733511 where: bonds (distance) C4'-P energy: -116.756 bonds (distance) P-C4' energy: -131.644 flat angles C4'-P-C4' energy: -142.798 flat angles P-C4'-P energy: -86.464 tors. eta vs tors. theta energy: -142.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1788.985305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.985305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.985305 (E_RNA) where: Base-Base interactions energy: -1201.641 where: short stacking energy: -509.960 Base-Backbone interact. energy: -0.151 local terms energy: -587.193007 where: bonds (distance) C4'-P energy: -105.185 bonds (distance) P-C4' energy: -144.238 flat angles C4'-P-C4' energy: -139.848 flat angles P-C4'-P energy: -72.845 tors. eta vs tors. theta energy: -125.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1393.789645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.789645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.789645 (E_RNA) where: Base-Base interactions energy: -908.175 where: short stacking energy: -408.170 Base-Backbone interact. energy: 2.214 local terms energy: -487.828213 where: bonds (distance) C4'-P energy: -112.900 bonds (distance) P-C4' energy: -108.706 flat angles C4'-P-C4' energy: -118.437 flat angles P-C4'-P energy: -70.641 tors. eta vs tors. theta energy: -77.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -949.665450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.665450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.665450 (E_RNA) where: Base-Base interactions energy: -546.958 where: short stacking energy: -277.660 Base-Backbone interact. energy: 2.471 local terms energy: -405.179086 where: bonds (distance) C4'-P energy: -105.373 bonds (distance) P-C4' energy: -138.530 flat angles C4'-P-C4' energy: -98.341 flat angles P-C4'-P energy: -56.272 tors. eta vs tors. theta energy: -6.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -843.382537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.382537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.382537 (E_RNA) where: Base-Base interactions energy: -411.396 where: short stacking energy: -226.490 Base-Backbone interact. energy: 6.735 local terms energy: -438.722105 where: bonds (distance) C4'-P energy: -118.839 bonds (distance) P-C4' energy: -145.961 flat angles C4'-P-C4' energy: -102.797 flat angles P-C4'-P energy: -64.852 tors. eta vs tors. theta energy: -6.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2684.653627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.653627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.653627 (E_RNA) where: Base-Base interactions energy: -1866.882 where: short stacking energy: -776.567 Base-Backbone interact. energy: -2.403 local terms energy: -815.368940 where: bonds (distance) C4'-P energy: -135.192 bonds (distance) P-C4' energy: -155.826 flat angles C4'-P-C4' energy: -174.726 flat angles P-C4'-P energy: -113.633 tors. eta vs tors. theta energy: -235.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2546.687149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.687149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.687149 (E_RNA) where: Base-Base interactions energy: -1774.318 where: short stacking energy: -752.859 Base-Backbone interact. energy: -4.784 local terms energy: -767.584944 where: bonds (distance) C4'-P energy: -161.148 bonds (distance) P-C4' energy: -143.218 flat angles C4'-P-C4' energy: -155.980 flat angles P-C4'-P energy: -100.212 tors. eta vs tors. theta energy: -207.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2444.818196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.818196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.818196 (E_RNA) where: Base-Base interactions energy: -1698.305 where: short stacking energy: -734.025 Base-Backbone interact. energy: -1.440 local terms energy: -745.072698 where: bonds (distance) C4'-P energy: -131.567 bonds (distance) P-C4' energy: -128.892 flat angles C4'-P-C4' energy: -163.599 flat angles P-C4'-P energy: -99.376 tors. eta vs tors. theta energy: -221.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2224.561006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.561006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.561006 (E_RNA) where: Base-Base interactions energy: -1483.864 where: short stacking energy: -642.611 Base-Backbone interact. energy: -2.251 local terms energy: -738.445559 where: bonds (distance) C4'-P energy: -153.638 bonds (distance) P-C4' energy: -130.132 flat angles C4'-P-C4' energy: -161.283 flat angles P-C4'-P energy: -104.629 tors. eta vs tors. theta energy: -188.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1991.961556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.961556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.961556 (E_RNA) where: Base-Base interactions energy: -1317.559 where: short stacking energy: -555.088 Base-Backbone interact. energy: -1.779 local terms energy: -672.623714 where: bonds (distance) C4'-P energy: -142.107 bonds (distance) P-C4' energy: -137.974 flat angles C4'-P-C4' energy: -149.168 flat angles P-C4'-P energy: -100.148 tors. eta vs tors. theta energy: -143.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1926.152358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.152358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.152358 (E_RNA) where: Base-Base interactions energy: -1288.819 where: short stacking energy: -561.635 Base-Backbone interact. energy: 0.187 local terms energy: -637.520697 where: bonds (distance) C4'-P energy: -125.457 bonds (distance) P-C4' energy: -120.939 flat angles C4'-P-C4' energy: -147.738 flat angles P-C4'-P energy: -101.076 tors. eta vs tors. theta energy: -142.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1775.914476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.914476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.914476 (E_RNA) where: Base-Base interactions energy: -1170.602 where: short stacking energy: -531.022 Base-Backbone interact. energy: -1.076 local terms energy: -604.235745 where: bonds (distance) C4'-P energy: -130.477 bonds (distance) P-C4' energy: -122.865 flat angles C4'-P-C4' energy: -136.116 flat angles P-C4'-P energy: -86.418 tors. eta vs tors. theta energy: -128.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1316.129016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.129016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.129016 (E_RNA) where: Base-Base interactions energy: -794.097 where: short stacking energy: -349.785 Base-Backbone interact. energy: 12.296 local terms energy: -534.328259 where: bonds (distance) C4'-P energy: -123.521 bonds (distance) P-C4' energy: -136.166 flat angles C4'-P-C4' energy: -125.328 flat angles P-C4'-P energy: -82.231 tors. eta vs tors. theta energy: -67.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -903.085284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.085284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.085284 (E_RNA) where: Base-Base interactions energy: -434.128 where: short stacking energy: -253.227 Base-Backbone interact. energy: -3.399 local terms energy: -465.558272 where: bonds (distance) C4'-P energy: -111.690 bonds (distance) P-C4' energy: -144.744 flat angles C4'-P-C4' energy: -117.785 flat angles P-C4'-P energy: -71.270 tors. eta vs tors. theta energy: -20.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -828.778182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.778182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.778182 (E_RNA) where: Base-Base interactions energy: -428.282 where: short stacking energy: -230.674 Base-Backbone interact. energy: -1.281 local terms energy: -399.215192 where: bonds (distance) C4'-P energy: -116.743 bonds (distance) P-C4' energy: -115.376 flat angles C4'-P-C4' energy: -111.967 flat angles P-C4'-P energy: -72.261 tors. eta vs tors. theta energy: 17.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2659.883978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.883978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.883978 (E_RNA) where: Base-Base interactions energy: -1838.486 where: short stacking energy: -786.717 Base-Backbone interact. energy: 0.035 local terms energy: -821.433060 where: bonds (distance) C4'-P energy: -143.215 bonds (distance) P-C4' energy: -156.604 flat angles C4'-P-C4' energy: -173.060 flat angles P-C4'-P energy: -114.995 tors. eta vs tors. theta energy: -233.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2532.883735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.883735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.883735 (E_RNA) where: Base-Base interactions energy: -1766.908 where: short stacking energy: -752.484 Base-Backbone interact. energy: -2.134 local terms energy: -763.842282 where: bonds (distance) C4'-P energy: -131.608 bonds (distance) P-C4' energy: -129.456 flat angles C4'-P-C4' energy: -174.519 flat angles P-C4'-P energy: -111.763 tors. eta vs tors. theta energy: -216.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2411.106791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.106791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.106791 (E_RNA) where: Base-Base interactions energy: -1665.569 where: short stacking energy: -733.635 Base-Backbone interact. energy: -3.919 local terms energy: -741.619059 where: bonds (distance) C4'-P energy: -138.076 bonds (distance) P-C4' energy: -146.948 flat angles C4'-P-C4' energy: -146.296 flat angles P-C4'-P energy: -107.814 tors. eta vs tors. theta energy: -202.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2265.595316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.595316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.595316 (E_RNA) where: Base-Base interactions energy: -1513.798 where: short stacking energy: -656.589 Base-Backbone interact. energy: -2.928 local terms energy: -748.869230 where: bonds (distance) C4'-P energy: -152.188 bonds (distance) P-C4' energy: -146.298 flat angles C4'-P-C4' energy: -153.909 flat angles P-C4'-P energy: -96.201 tors. eta vs tors. theta energy: -200.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2065.904079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.904079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.904079 (E_RNA) where: Base-Base interactions energy: -1404.519 where: short stacking energy: -612.898 Base-Backbone interact. energy: 3.200 local terms energy: -664.585048 where: bonds (distance) C4'-P energy: -132.888 bonds (distance) P-C4' energy: -114.802 flat angles C4'-P-C4' energy: -149.851 flat angles P-C4'-P energy: -92.810 tors. eta vs tors. theta energy: -174.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1939.728738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.728738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.728738 (E_RNA) where: Base-Base interactions energy: -1299.388 where: short stacking energy: -561.326 Base-Backbone interact. energy: -5.224 local terms energy: -635.116602 where: bonds (distance) C4'-P energy: -128.125 bonds (distance) P-C4' energy: -144.617 flat angles C4'-P-C4' energy: -137.622 flat angles P-C4'-P energy: -86.283 tors. eta vs tors. theta energy: -138.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1820.255870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.255870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.255870 (E_RNA) where: Base-Base interactions energy: -1199.880 where: short stacking energy: -512.621 Base-Backbone interact. energy: -1.559 local terms energy: -618.816520 where: bonds (distance) C4'-P energy: -125.553 bonds (distance) P-C4' energy: -127.269 flat angles C4'-P-C4' energy: -148.818 flat angles P-C4'-P energy: -73.883 tors. eta vs tors. theta energy: -143.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1347.538808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.538808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.538808 (E_RNA) where: Base-Base interactions energy: -847.984 where: short stacking energy: -381.806 Base-Backbone interact. energy: 4.180 local terms energy: -503.734565 where: bonds (distance) C4'-P energy: -135.646 bonds (distance) P-C4' energy: -137.887 flat angles C4'-P-C4' energy: -116.986 flat angles P-C4'-P energy: -58.231 tors. eta vs tors. theta energy: -54.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -894.884560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.884560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.884560 (E_RNA) where: Base-Base interactions energy: -467.217 where: short stacking energy: -254.632 Base-Backbone interact. energy: -1.499 local terms energy: -426.168774 where: bonds (distance) C4'-P energy: -105.111 bonds (distance) P-C4' energy: -100.132 flat angles C4'-P-C4' energy: -125.863 flat angles P-C4'-P energy: -73.513 tors. eta vs tors. theta energy: -21.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -766.276024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.276024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.276024 (E_RNA) where: Base-Base interactions energy: -380.659 where: short stacking energy: -211.560 Base-Backbone interact. energy: 3.573 local terms energy: -389.190180 where: bonds (distance) C4'-P energy: -113.090 bonds (distance) P-C4' energy: -140.321 flat angles C4'-P-C4' energy: -98.534 flat angles P-C4'-P energy: -59.975 tors. eta vs tors. theta energy: 22.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2694.656545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.656545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.656545 (E_RNA) where: Base-Base interactions energy: -1877.380 where: short stacking energy: -769.786 Base-Backbone interact. energy: -3.879 local terms energy: -813.398369 where: bonds (distance) C4'-P energy: -155.902 bonds (distance) P-C4' energy: -147.965 flat angles C4'-P-C4' energy: -176.023 flat angles P-C4'-P energy: -110.600 tors. eta vs tors. theta energy: -222.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2555.161168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.161168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.161168 (E_RNA) where: Base-Base interactions energy: -1771.694 where: short stacking energy: -756.681 Base-Backbone interact. energy: -4.297 local terms energy: -779.170296 where: bonds (distance) C4'-P energy: -133.724 bonds (distance) P-C4' energy: -143.570 flat angles C4'-P-C4' energy: -173.096 flat angles P-C4'-P energy: -118.008 tors. eta vs tors. theta energy: -210.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2427.046295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.046295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.046295 (E_RNA) where: Base-Base interactions energy: -1662.120 where: short stacking energy: -727.279 Base-Backbone interact. energy: -1.316 local terms energy: -763.610793 where: bonds (distance) C4'-P energy: -131.872 bonds (distance) P-C4' energy: -133.147 flat angles C4'-P-C4' energy: -160.144 flat angles P-C4'-P energy: -111.810 tors. eta vs tors. theta energy: -226.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2269.720370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.720370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.720370 (E_RNA) where: Base-Base interactions energy: -1524.790 where: short stacking energy: -690.292 Base-Backbone interact. energy: 4.164 local terms energy: -749.094025 where: bonds (distance) C4'-P energy: -132.654 bonds (distance) P-C4' energy: -143.905 flat angles C4'-P-C4' energy: -162.643 flat angles P-C4'-P energy: -114.247 tors. eta vs tors. theta energy: -195.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2113.443252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.443252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.443252 (E_RNA) where: Base-Base interactions energy: -1438.582 where: short stacking energy: -627.779 Base-Backbone interact. energy: -1.123 local terms energy: -673.739158 where: bonds (distance) C4'-P energy: -141.429 bonds (distance) P-C4' energy: -129.294 flat angles C4'-P-C4' energy: -136.721 flat angles P-C4'-P energy: -95.793 tors. eta vs tors. theta energy: -170.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1956.199760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.199760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.199760 (E_RNA) where: Base-Base interactions energy: -1359.267 where: short stacking energy: -547.163 Base-Backbone interact. energy: -1.029 local terms energy: -595.904358 where: bonds (distance) C4'-P energy: -110.230 bonds (distance) P-C4' energy: -144.118 flat angles C4'-P-C4' energy: -130.147 flat angles P-C4'-P energy: -79.358 tors. eta vs tors. theta energy: -132.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1878.192996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.192996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.192996 (E_RNA) where: Base-Base interactions energy: -1246.972 where: short stacking energy: -524.302 Base-Backbone interact. energy: 0.405 local terms energy: -631.626059 where: bonds (distance) C4'-P energy: -141.872 bonds (distance) P-C4' energy: -136.462 flat angles C4'-P-C4' energy: -140.768 flat angles P-C4'-P energy: -86.599 tors. eta vs tors. theta energy: -125.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1322.962462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.962462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.962462 (E_RNA) where: Base-Base interactions energy: -829.329 where: short stacking energy: -377.427 Base-Backbone interact. energy: -2.409 local terms energy: -491.751233 where: bonds (distance) C4'-P energy: -117.528 bonds (distance) P-C4' energy: -127.442 flat angles C4'-P-C4' energy: -111.431 flat angles P-C4'-P energy: -89.246 tors. eta vs tors. theta energy: -46.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.527 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -879.109755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.109755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.109755 (E_RNA) where: Base-Base interactions energy: -447.405 where: short stacking energy: -254.393 Base-Backbone interact. energy: -0.558 local terms energy: -431.145877 where: bonds (distance) C4'-P energy: -108.778 bonds (distance) P-C4' energy: -130.198 flat angles C4'-P-C4' energy: -105.292 flat angles P-C4'-P energy: -68.294 tors. eta vs tors. theta energy: -18.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -793.533745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.533745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.533745 (E_RNA) where: Base-Base interactions energy: -388.583 where: short stacking energy: -199.656 Base-Backbone interact. energy: 2.557 local terms energy: -407.508093 where: bonds (distance) C4'-P energy: -139.073 bonds (distance) P-C4' energy: -120.173 flat angles C4'-P-C4' energy: -82.242 flat angles P-C4'-P energy: -59.261 tors. eta vs tors. theta energy: -6.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2693.091981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.091981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.091981 (E_RNA) where: Base-Base interactions energy: -1877.156 where: short stacking energy: -779.160 Base-Backbone interact. energy: -3.404 local terms energy: -812.531665 where: bonds (distance) C4'-P energy: -139.509 bonds (distance) P-C4' energy: -150.018 flat angles C4'-P-C4' energy: -175.062 flat angles P-C4'-P energy: -108.525 tors. eta vs tors. theta energy: -239.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2518.260920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.260920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.260920 (E_RNA) where: Base-Base interactions energy: -1739.027 where: short stacking energy: -724.166 Base-Backbone interact. energy: -2.515 local terms energy: -776.719402 where: bonds (distance) C4'-P energy: -138.976 bonds (distance) P-C4' energy: -147.849 flat angles C4'-P-C4' energy: -164.952 flat angles P-C4'-P energy: -111.124 tors. eta vs tors. theta energy: -213.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2408.407009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.407009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.407009 (E_RNA) where: Base-Base interactions energy: -1637.099 where: short stacking energy: -712.345 Base-Backbone interact. energy: -3.369 local terms energy: -767.939528 where: bonds (distance) C4'-P energy: -140.648 bonds (distance) P-C4' energy: -143.116 flat angles C4'-P-C4' energy: -155.348 flat angles P-C4'-P energy: -112.359 tors. eta vs tors. theta energy: -216.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2265.373878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.373878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.373878 (E_RNA) where: Base-Base interactions energy: -1525.492 where: short stacking energy: -646.637 Base-Backbone interact. energy: -2.225 local terms energy: -737.657070 where: bonds (distance) C4'-P energy: -124.763 bonds (distance) P-C4' energy: -148.108 flat angles C4'-P-C4' energy: -158.882 flat angles P-C4'-P energy: -105.071 tors. eta vs tors. theta energy: -200.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2078.206058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.206058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.206058 (E_RNA) where: Base-Base interactions energy: -1393.414 where: short stacking energy: -597.104 Base-Backbone interact. energy: -1.569 local terms energy: -683.223025 where: bonds (distance) C4'-P energy: -129.911 bonds (distance) P-C4' energy: -137.044 flat angles C4'-P-C4' energy: -152.791 flat angles P-C4'-P energy: -91.694 tors. eta vs tors. theta energy: -171.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1977.108720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.108720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.108720 (E_RNA) where: Base-Base interactions energy: -1340.484 where: short stacking energy: -557.321 Base-Backbone interact. energy: -0.391 local terms energy: -636.233893 where: bonds (distance) C4'-P energy: -110.519 bonds (distance) P-C4' energy: -135.023 flat angles C4'-P-C4' energy: -145.372 flat angles P-C4'-P energy: -101.030 tors. eta vs tors. theta energy: -144.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1903.243371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.243371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.243371 (E_RNA) where: Base-Base interactions energy: -1247.463 where: short stacking energy: -547.437 Base-Backbone interact. energy: 1.226 local terms energy: -657.005605 where: bonds (distance) C4'-P energy: -125.584 bonds (distance) P-C4' energy: -140.607 flat angles C4'-P-C4' energy: -153.458 flat angles P-C4'-P energy: -80.861 tors. eta vs tors. theta energy: -156.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1381.865581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.865581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.865581 (E_RNA) where: Base-Base interactions energy: -866.081 where: short stacking energy: -378.254 Base-Backbone interact. energy: 0.268 local terms energy: -516.052290 where: bonds (distance) C4'-P energy: -121.752 bonds (distance) P-C4' energy: -145.822 flat angles C4'-P-C4' energy: -121.314 flat angles P-C4'-P energy: -67.039 tors. eta vs tors. theta energy: -60.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -889.940875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.940875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.940875 (E_RNA) where: Base-Base interactions energy: -467.390 where: short stacking energy: -254.255 Base-Backbone interact. energy: 9.676 local terms energy: -432.226962 where: bonds (distance) C4'-P energy: -99.365 bonds (distance) P-C4' energy: -146.756 flat angles C4'-P-C4' energy: -107.178 flat angles P-C4'-P energy: -64.479 tors. eta vs tors. theta energy: -14.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -731.416118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.416118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.416118 (E_RNA) where: Base-Base interactions energy: -344.188 where: short stacking energy: -230.705 Base-Backbone interact. energy: 5.454 local terms energy: -392.681913 where: bonds (distance) C4'-P energy: -126.403 bonds (distance) P-C4' energy: -99.677 flat angles C4'-P-C4' energy: -109.022 flat angles P-C4'-P energy: -58.228 tors. eta vs tors. theta energy: 0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2690.858074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.858074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.858074 (E_RNA) where: Base-Base interactions energy: -1891.575 where: short stacking energy: -781.273 Base-Backbone interact. energy: 4.788 local terms energy: -804.070875 where: bonds (distance) C4'-P energy: -152.503 bonds (distance) P-C4' energy: -138.205 flat angles C4'-P-C4' energy: -167.373 flat angles P-C4'-P energy: -121.803 tors. eta vs tors. theta energy: -224.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2503.633511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.633511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.633511 (E_RNA) where: Base-Base interactions energy: -1733.482 where: short stacking energy: -742.348 Base-Backbone interact. energy: -2.680 local terms energy: -767.471100 where: bonds (distance) C4'-P energy: -135.039 bonds (distance) P-C4' energy: -153.491 flat angles C4'-P-C4' energy: -164.346 flat angles P-C4'-P energy: -109.063 tors. eta vs tors. theta energy: -205.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2414.197892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.197892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.197892 (E_RNA) where: Base-Base interactions energy: -1663.159 where: short stacking energy: -730.838 Base-Backbone interact. energy: 0.439 local terms energy: -751.477535 where: bonds (distance) C4'-P energy: -128.764 bonds (distance) P-C4' energy: -140.059 flat angles C4'-P-C4' energy: -159.783 flat angles P-C4'-P energy: -103.429 tors. eta vs tors. theta energy: -219.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2239.805903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.805903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.805903 (E_RNA) where: Base-Base interactions energy: -1531.936 where: short stacking energy: -668.751 Base-Backbone interact. energy: -3.025 local terms energy: -704.844589 where: bonds (distance) C4'-P energy: -123.046 bonds (distance) P-C4' energy: -121.254 flat angles C4'-P-C4' energy: -149.787 flat angles P-C4'-P energy: -117.966 tors. eta vs tors. theta energy: -192.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2126.372674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.372674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.372674 (E_RNA) where: Base-Base interactions energy: -1435.207 where: short stacking energy: -634.202 Base-Backbone interact. energy: -1.585 local terms energy: -689.580393 where: bonds (distance) C4'-P energy: -118.264 bonds (distance) P-C4' energy: -135.352 flat angles C4'-P-C4' energy: -150.856 flat angles P-C4'-P energy: -113.266 tors. eta vs tors. theta energy: -171.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1936.701407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.701407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.701407 (E_RNA) where: Base-Base interactions energy: -1318.276 where: short stacking energy: -567.339 Base-Backbone interact. energy: 0.776 local terms energy: -619.201800 where: bonds (distance) C4'-P energy: -109.954 bonds (distance) P-C4' energy: -137.589 flat angles C4'-P-C4' energy: -134.080 flat angles P-C4'-P energy: -92.936 tors. eta vs tors. theta energy: -144.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1883.581376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.581376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.581376 (E_RNA) where: Base-Base interactions energy: -1281.133 where: short stacking energy: -562.327 Base-Backbone interact. energy: -2.778 local terms energy: -599.670459 where: bonds (distance) C4'-P energy: -109.412 bonds (distance) P-C4' energy: -128.064 flat angles C4'-P-C4' energy: -138.637 flat angles P-C4'-P energy: -85.003 tors. eta vs tors. theta energy: -138.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1385.759946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.759946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.759946 (E_RNA) where: Base-Base interactions energy: -890.515 where: short stacking energy: -394.397 Base-Backbone interact. energy: 1.032 local terms energy: -496.277332 where: bonds (distance) C4'-P energy: -119.147 bonds (distance) P-C4' energy: -127.077 flat angles C4'-P-C4' energy: -116.752 flat angles P-C4'-P energy: -67.639 tors. eta vs tors. theta energy: -65.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -923.157238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.157238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.157238 (E_RNA) where: Base-Base interactions energy: -497.565 where: short stacking energy: -252.591 Base-Backbone interact. energy: 0.357 local terms energy: -425.950046 where: bonds (distance) C4'-P energy: -107.615 bonds (distance) P-C4' energy: -127.152 flat angles C4'-P-C4' energy: -110.182 flat angles P-C4'-P energy: -80.887 tors. eta vs tors. theta energy: -0.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -691.805420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.805420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.805420 (E_RNA) where: Base-Base interactions energy: -295.920 where: short stacking energy: -193.017 Base-Backbone interact. energy: 1.915 local terms energy: -397.800315 where: bonds (distance) C4'-P energy: -122.523 bonds (distance) P-C4' energy: -123.184 flat angles C4'-P-C4' energy: -93.354 flat angles P-C4'-P energy: -63.284 tors. eta vs tors. theta energy: 4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2654.862441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.862441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.862441 (E_RNA) where: Base-Base interactions energy: -1842.700 where: short stacking energy: -741.355 Base-Backbone interact. energy: -1.431 local terms energy: -810.730906 where: bonds (distance) C4'-P energy: -146.939 bonds (distance) P-C4' energy: -147.901 flat angles C4'-P-C4' energy: -175.317 flat angles P-C4'-P energy: -122.456 tors. eta vs tors. theta energy: -218.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2498.668042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.668042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.668042 (E_RNA) where: Base-Base interactions energy: -1725.882 where: short stacking energy: -744.622 Base-Backbone interact. energy: -2.463 local terms energy: -770.322600 where: bonds (distance) C4'-P energy: -133.054 bonds (distance) P-C4' energy: -148.318 flat angles C4'-P-C4' energy: -171.193 flat angles P-C4'-P energy: -99.399 tors. eta vs tors. theta energy: -218.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2395.747531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.747531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.747531 (E_RNA) where: Base-Base interactions energy: -1631.401 where: short stacking energy: -713.532 Base-Backbone interact. energy: -4.367 local terms energy: -759.979794 where: bonds (distance) C4'-P energy: -138.521 bonds (distance) P-C4' energy: -144.214 flat angles C4'-P-C4' energy: -157.162 flat angles P-C4'-P energy: -109.210 tors. eta vs tors. theta energy: -210.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2227.419684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.419684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.419684 (E_RNA) where: Base-Base interactions energy: -1482.673 where: short stacking energy: -643.712 Base-Backbone interact. energy: -5.857 local terms energy: -738.888808 where: bonds (distance) C4'-P energy: -140.516 bonds (distance) P-C4' energy: -147.075 flat angles C4'-P-C4' energy: -160.798 flat angles P-C4'-P energy: -102.360 tors. eta vs tors. theta energy: -188.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2069.731352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.731352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.731352 (E_RNA) where: Base-Base interactions energy: -1391.247 where: short stacking energy: -599.615 Base-Backbone interact. energy: -1.031 local terms energy: -677.453631 where: bonds (distance) C4'-P energy: -128.932 bonds (distance) P-C4' energy: -127.089 flat angles C4'-P-C4' energy: -156.838 flat angles P-C4'-P energy: -84.495 tors. eta vs tors. theta energy: -180.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2016.038182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.038182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.038182 (E_RNA) where: Base-Base interactions energy: -1385.025 where: short stacking energy: -587.172 Base-Backbone interact. energy: 2.220 local terms energy: -633.233279 where: bonds (distance) C4'-P energy: -111.536 bonds (distance) P-C4' energy: -128.283 flat angles C4'-P-C4' energy: -155.719 flat angles P-C4'-P energy: -83.752 tors. eta vs tors. theta energy: -153.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1900.216808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.216808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.216808 (E_RNA) where: Base-Base interactions energy: -1285.659 where: short stacking energy: -546.297 Base-Backbone interact. energy: -2.559 local terms energy: -611.998420 where: bonds (distance) C4'-P energy: -119.586 bonds (distance) P-C4' energy: -121.480 flat angles C4'-P-C4' energy: -138.480 flat angles P-C4'-P energy: -91.145 tors. eta vs tors. theta energy: -141.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1356.030939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.030939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.030939 (E_RNA) where: Base-Base interactions energy: -832.381 where: short stacking energy: -373.711 Base-Backbone interact. energy: -3.342 local terms energy: -520.307359 where: bonds (distance) C4'-P energy: -124.429 bonds (distance) P-C4' energy: -136.897 flat angles C4'-P-C4' energy: -120.696 flat angles P-C4'-P energy: -65.642 tors. eta vs tors. theta energy: -72.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -952.081851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.081851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.081851 (E_RNA) where: Base-Base interactions energy: -490.953 where: short stacking energy: -280.517 Base-Backbone interact. energy: -0.460 local terms energy: -460.668336 where: bonds (distance) C4'-P energy: -109.047 bonds (distance) P-C4' energy: -110.253 flat angles C4'-P-C4' energy: -126.762 flat angles P-C4'-P energy: -73.244 tors. eta vs tors. theta energy: -41.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -715.802441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.802441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.802441 (E_RNA) where: Base-Base interactions energy: -346.389 where: short stacking energy: -227.255 Base-Backbone interact. energy: 5.782 local terms energy: -375.195014 where: bonds (distance) C4'-P energy: -114.088 bonds (distance) P-C4' energy: -110.898 flat angles C4'-P-C4' energy: -105.263 flat angles P-C4'-P energy: -52.394 tors. eta vs tors. theta energy: 7.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2660.544313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.544313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.544313 (E_RNA) where: Base-Base interactions energy: -1877.703 where: short stacking energy: -757.049 Base-Backbone interact. energy: 2.386 local terms energy: -785.227951 where: bonds (distance) C4'-P energy: -141.279 bonds (distance) P-C4' energy: -157.548 flat angles C4'-P-C4' energy: -170.520 flat angles P-C4'-P energy: -101.545 tors. eta vs tors. theta energy: -214.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2465.866967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.866967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.866967 (E_RNA) where: Base-Base interactions energy: -1740.016 where: short stacking energy: -725.788 Base-Backbone interact. energy: -4.404 local terms energy: -721.446676 where: bonds (distance) C4'-P energy: -123.624 bonds (distance) P-C4' energy: -130.124 flat angles C4'-P-C4' energy: -175.923 flat angles P-C4'-P energy: -97.577 tors. eta vs tors. theta energy: -194.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2407.962281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.962281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.962281 (E_RNA) where: Base-Base interactions energy: -1640.782 where: short stacking energy: -718.635 Base-Backbone interact. energy: -2.944 local terms energy: -764.236572 where: bonds (distance) C4'-P energy: -124.992 bonds (distance) P-C4' energy: -150.600 flat angles C4'-P-C4' energy: -167.167 flat angles P-C4'-P energy: -110.629 tors. eta vs tors. theta energy: -210.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2269.032630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.032630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.032630 (E_RNA) where: Base-Base interactions energy: -1561.551 where: short stacking energy: -667.818 Base-Backbone interact. energy: -1.269 local terms energy: -706.212487 where: bonds (distance) C4'-P energy: -119.491 bonds (distance) P-C4' energy: -140.443 flat angles C4'-P-C4' energy: -155.122 flat angles P-C4'-P energy: -88.823 tors. eta vs tors. theta energy: -202.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2085.058490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.058490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.058490 (E_RNA) where: Base-Base interactions energy: -1389.213 where: short stacking energy: -583.786 Base-Backbone interact. energy: -1.285 local terms energy: -694.560666 where: bonds (distance) C4'-P energy: -140.686 bonds (distance) P-C4' energy: -146.652 flat angles C4'-P-C4' energy: -118.301 flat angles P-C4'-P energy: -104.164 tors. eta vs tors. theta energy: -184.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1997.106421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.106421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.106421 (E_RNA) where: Base-Base interactions energy: -1320.497 where: short stacking energy: -552.076 Base-Backbone interact. energy: -2.444 local terms energy: -674.165716 where: bonds (distance) C4'-P energy: -120.993 bonds (distance) P-C4' energy: -150.807 flat angles C4'-P-C4' energy: -157.320 flat angles P-C4'-P energy: -95.566 tors. eta vs tors. theta energy: -149.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1904.452731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.452731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.452731 (E_RNA) where: Base-Base interactions energy: -1268.729 where: short stacking energy: -550.460 Base-Backbone interact. energy: 4.243 local terms energy: -639.966780 where: bonds (distance) C4'-P energy: -114.168 bonds (distance) P-C4' energy: -137.954 flat angles C4'-P-C4' energy: -138.482 flat angles P-C4'-P energy: -91.945 tors. eta vs tors. theta energy: -157.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1362.879152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.879152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.879152 (E_RNA) where: Base-Base interactions energy: -812.765 where: short stacking energy: -361.284 Base-Backbone interact. energy: 5.339 local terms energy: -555.453098 where: bonds (distance) C4'-P energy: -148.750 bonds (distance) P-C4' energy: -140.102 flat angles C4'-P-C4' energy: -133.513 flat angles P-C4'-P energy: -61.614 tors. eta vs tors. theta energy: -71.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -963.707975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.707975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.707975 (E_RNA) where: Base-Base interactions energy: -512.825 where: short stacking energy: -262.563 Base-Backbone interact. energy: -1.339 local terms energy: -449.544212 where: bonds (distance) C4'-P energy: -108.986 bonds (distance) P-C4' energy: -134.944 flat angles C4'-P-C4' energy: -103.737 flat angles P-C4'-P energy: -74.879 tors. eta vs tors. theta energy: -26.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -735.745460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.745460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.745460 (E_RNA) where: Base-Base interactions energy: -341.101 where: short stacking energy: -209.628 Base-Backbone interact. energy: -0.968 local terms energy: -393.675948 where: bonds (distance) C4'-P energy: -104.621 bonds (distance) P-C4' energy: -111.947 flat angles C4'-P-C4' energy: -111.408 flat angles P-C4'-P energy: -70.895 tors. eta vs tors. theta energy: 5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2643.973879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.973879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.973879 (E_RNA) where: Base-Base interactions energy: -1861.361 where: short stacking energy: -758.405 Base-Backbone interact. energy: -0.459 local terms energy: -782.153975 where: bonds (distance) C4'-P energy: -145.356 bonds (distance) P-C4' energy: -154.558 flat angles C4'-P-C4' energy: -170.179 flat angles P-C4'-P energy: -98.506 tors. eta vs tors. theta energy: -213.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2507.957757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.957757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.957757 (E_RNA) where: Base-Base interactions energy: -1734.484 where: short stacking energy: -741.642 Base-Backbone interact. energy: -1.063 local terms energy: -772.410958 where: bonds (distance) C4'-P energy: -154.754 bonds (distance) P-C4' energy: -143.589 flat angles C4'-P-C4' energy: -167.305 flat angles P-C4'-P energy: -91.049 tors. eta vs tors. theta energy: -215.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2427.873024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.873024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.873024 (E_RNA) where: Base-Base interactions energy: -1670.720 where: short stacking energy: -747.374 Base-Backbone interact. energy: -3.078 local terms energy: -754.074652 where: bonds (distance) C4'-P energy: -135.649 bonds (distance) P-C4' energy: -123.282 flat angles C4'-P-C4' energy: -164.341 flat angles P-C4'-P energy: -110.225 tors. eta vs tors. theta energy: -220.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2292.587460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.587460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.587460 (E_RNA) where: Base-Base interactions energy: -1556.781 where: short stacking energy: -650.557 Base-Backbone interact. energy: -2.856 local terms energy: -732.950384 where: bonds (distance) C4'-P energy: -144.874 bonds (distance) P-C4' energy: -150.258 flat angles C4'-P-C4' energy: -156.018 flat angles P-C4'-P energy: -96.890 tors. eta vs tors. theta energy: -184.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2015.827292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.827292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.827292 (E_RNA) where: Base-Base interactions energy: -1349.056 where: short stacking energy: -564.929 Base-Backbone interact. energy: 0.607 local terms energy: -667.378109 where: bonds (distance) C4'-P energy: -129.263 bonds (distance) P-C4' energy: -122.197 flat angles C4'-P-C4' energy: -163.421 flat angles P-C4'-P energy: -107.271 tors. eta vs tors. theta energy: -145.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1956.888451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.888451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.888451 (E_RNA) where: Base-Base interactions energy: -1323.006 where: short stacking energy: -566.100 Base-Backbone interact. energy: -0.022 local terms energy: -633.860388 where: bonds (distance) C4'-P energy: -143.289 bonds (distance) P-C4' energy: -134.913 flat angles C4'-P-C4' energy: -127.036 flat angles P-C4'-P energy: -79.621 tors. eta vs tors. theta energy: -149.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1887.930882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.930882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.930882 (E_RNA) where: Base-Base interactions energy: -1289.294 where: short stacking energy: -560.943 Base-Backbone interact. energy: -1.869 local terms energy: -596.767502 where: bonds (distance) C4'-P energy: -126.786 bonds (distance) P-C4' energy: -105.258 flat angles C4'-P-C4' energy: -136.928 flat angles P-C4'-P energy: -97.351 tors. eta vs tors. theta energy: -130.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1338.893889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.893889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.893889 (E_RNA) where: Base-Base interactions energy: -840.717 where: short stacking energy: -380.936 Base-Backbone interact. energy: -1.469 local terms energy: -496.707736 where: bonds (distance) C4'-P energy: -114.203 bonds (distance) P-C4' energy: -125.230 flat angles C4'-P-C4' energy: -121.472 flat angles P-C4'-P energy: -89.916 tors. eta vs tors. theta energy: -45.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -923.186610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.186610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.186610 (E_RNA) where: Base-Base interactions energy: -488.440 where: short stacking energy: -279.504 Base-Backbone interact. energy: 3.348 local terms energy: -438.093709 where: bonds (distance) C4'-P energy: -106.904 bonds (distance) P-C4' energy: -122.252 flat angles C4'-P-C4' energy: -117.313 flat angles P-C4'-P energy: -76.672 tors. eta vs tors. theta energy: -14.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -687.498067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.498067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.498067 (E_RNA) where: Base-Base interactions energy: -302.061 where: short stacking energy: -178.463 Base-Backbone interact. energy: 5.997 local terms energy: -391.433945 where: bonds (distance) C4'-P energy: -127.429 bonds (distance) P-C4' energy: -117.906 flat angles C4'-P-C4' energy: -98.761 flat angles P-C4'-P energy: -58.673 tors. eta vs tors. theta energy: 11.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2704.280041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.280041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.280041 (E_RNA) where: Base-Base interactions energy: -1898.978 where: short stacking energy: -769.873 Base-Backbone interact. energy: -1.040 local terms energy: -804.262098 where: bonds (distance) C4'-P energy: -148.848 bonds (distance) P-C4' energy: -143.605 flat angles C4'-P-C4' energy: -170.392 flat angles P-C4'-P energy: -109.308 tors. eta vs tors. theta energy: -232.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2476.476797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.476797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.476797 (E_RNA) where: Base-Base interactions energy: -1680.128 where: short stacking energy: -726.253 Base-Backbone interact. energy: -3.391 local terms energy: -792.958045 where: bonds (distance) C4'-P energy: -133.987 bonds (distance) P-C4' energy: -150.878 flat angles C4'-P-C4' energy: -169.992 flat angles P-C4'-P energy: -110.027 tors. eta vs tors. theta energy: -228.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2431.173766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.173766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.173766 (E_RNA) where: Base-Base interactions energy: -1671.700 where: short stacking energy: -729.993 Base-Backbone interact. energy: 0.063 local terms energy: -759.536939 where: bonds (distance) C4'-P energy: -133.085 bonds (distance) P-C4' energy: -134.345 flat angles C4'-P-C4' energy: -168.328 flat angles P-C4'-P energy: -117.400 tors. eta vs tors. theta energy: -206.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2294.529136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.529136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.529136 (E_RNA) where: Base-Base interactions energy: -1574.763 where: short stacking energy: -669.699 Base-Backbone interact. energy: 3.583 local terms energy: -723.348249 where: bonds (distance) C4'-P energy: -123.030 bonds (distance) P-C4' energy: -137.847 flat angles C4'-P-C4' energy: -157.318 flat angles P-C4'-P energy: -109.790 tors. eta vs tors. theta energy: -195.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2062.107942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.107942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.107942 (E_RNA) where: Base-Base interactions energy: -1401.714 where: short stacking energy: -615.947 Base-Backbone interact. energy: 2.327 local terms energy: -662.721046 where: bonds (distance) C4'-P energy: -134.000 bonds (distance) P-C4' energy: -120.143 flat angles C4'-P-C4' energy: -146.797 flat angles P-C4'-P energy: -99.503 tors. eta vs tors. theta energy: -162.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1841.160734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.160734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.160734 (E_RNA) where: Base-Base interactions energy: -1259.467 where: short stacking energy: -523.322 Base-Backbone interact. energy: -1.232 local terms energy: -580.461034 where: bonds (distance) C4'-P energy: -106.881 bonds (distance) P-C4' energy: -123.276 flat angles C4'-P-C4' energy: -138.248 flat angles P-C4'-P energy: -90.186 tors. eta vs tors. theta energy: -121.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1874.674678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.674678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.674678 (E_RNA) where: Base-Base interactions energy: -1263.529 where: short stacking energy: -541.063 Base-Backbone interact. energy: -4.053 local terms energy: -607.092582 where: bonds (distance) C4'-P energy: -125.483 bonds (distance) P-C4' energy: -123.268 flat angles C4'-P-C4' energy: -138.386 flat angles P-C4'-P energy: -81.372 tors. eta vs tors. theta energy: -138.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1409.240453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.240453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.240453 (E_RNA) where: Base-Base interactions energy: -907.346 where: short stacking energy: -432.836 Base-Backbone interact. energy: 2.243 local terms energy: -504.267424 where: bonds (distance) C4'-P energy: -117.309 bonds (distance) P-C4' energy: -118.419 flat angles C4'-P-C4' energy: -128.040 flat angles P-C4'-P energy: -61.535 tors. eta vs tors. theta energy: -78.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.130 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1010.153976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.153976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.153976 (E_RNA) where: Base-Base interactions energy: -569.592 where: short stacking energy: -310.817 Base-Backbone interact. energy: -0.780 local terms energy: -439.781210 where: bonds (distance) C4'-P energy: -107.851 bonds (distance) P-C4' energy: -120.479 flat angles C4'-P-C4' energy: -111.493 flat angles P-C4'-P energy: -66.631 tors. eta vs tors. theta energy: -33.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -758.195777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.195777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.195777 (E_RNA) where: Base-Base interactions energy: -359.325 where: short stacking energy: -221.452 Base-Backbone interact. energy: 1.155 local terms energy: -400.025405 where: bonds (distance) C4'-P energy: -125.381 bonds (distance) P-C4' energy: -125.755 flat angles C4'-P-C4' energy: -94.269 flat angles P-C4'-P energy: -62.089 tors. eta vs tors. theta energy: 7.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2676.480774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.480774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.480774 (E_RNA) where: Base-Base interactions energy: -1850.552 where: short stacking energy: -772.513 Base-Backbone interact. energy: -2.632 local terms energy: -823.296708 where: bonds (distance) C4'-P energy: -157.618 bonds (distance) P-C4' energy: -148.407 flat angles C4'-P-C4' energy: -172.820 flat angles P-C4'-P energy: -118.180 tors. eta vs tors. theta energy: -226.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2502.501081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.501081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.501081 (E_RNA) where: Base-Base interactions energy: -1719.721 where: short stacking energy: -751.475 Base-Backbone interact. energy: -1.463 local terms energy: -781.316336 where: bonds (distance) C4'-P energy: -130.342 bonds (distance) P-C4' energy: -161.373 flat angles C4'-P-C4' energy: -170.820 flat angles P-C4'-P energy: -109.192 tors. eta vs tors. theta energy: -209.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2450.111246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.111246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.111246 (E_RNA) where: Base-Base interactions energy: -1668.697 where: short stacking energy: -691.691 Base-Backbone interact. energy: -1.775 local terms energy: -779.639311 where: bonds (distance) C4'-P energy: -140.603 bonds (distance) P-C4' energy: -158.867 flat angles C4'-P-C4' energy: -161.290 flat angles P-C4'-P energy: -113.901 tors. eta vs tors. theta energy: -204.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2276.119281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.119281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.119281 (E_RNA) where: Base-Base interactions energy: -1554.642 where: short stacking energy: -681.048 Base-Backbone interact. energy: -0.634 local terms energy: -720.843227 where: bonds (distance) C4'-P energy: -133.960 bonds (distance) P-C4' energy: -135.456 flat angles C4'-P-C4' energy: -152.780 flat angles P-C4'-P energy: -105.665 tors. eta vs tors. theta energy: -192.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2116.140574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.140574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.140574 (E_RNA) where: Base-Base interactions energy: -1443.076 where: short stacking energy: -608.715 Base-Backbone interact. energy: 0.404 local terms energy: -673.468806 where: bonds (distance) C4'-P energy: -128.345 bonds (distance) P-C4' energy: -133.140 flat angles C4'-P-C4' energy: -144.398 flat angles P-C4'-P energy: -100.995 tors. eta vs tors. theta energy: -166.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1949.353584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.353584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.353584 (E_RNA) where: Base-Base interactions energy: -1298.736 where: short stacking energy: -561.006 Base-Backbone interact. energy: 0.027 local terms energy: -650.644068 where: bonds (distance) C4'-P energy: -141.183 bonds (distance) P-C4' energy: -116.673 flat angles C4'-P-C4' energy: -140.891 flat angles P-C4'-P energy: -97.025 tors. eta vs tors. theta energy: -154.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1912.876318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.876318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.876318 (E_RNA) where: Base-Base interactions energy: -1290.419 where: short stacking energy: -537.574 Base-Backbone interact. energy: -3.242 local terms energy: -619.215101 where: bonds (distance) C4'-P energy: -138.225 bonds (distance) P-C4' energy: -115.071 flat angles C4'-P-C4' energy: -143.088 flat angles P-C4'-P energy: -77.676 tors. eta vs tors. theta energy: -145.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1367.041786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.041786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.041786 (E_RNA) where: Base-Base interactions energy: -872.177 where: short stacking energy: -363.265 Base-Backbone interact. energy: -1.127 local terms energy: -493.737306 where: bonds (distance) C4'-P energy: -114.883 bonds (distance) P-C4' energy: -130.130 flat angles C4'-P-C4' energy: -106.953 flat angles P-C4'-P energy: -85.029 tors. eta vs tors. theta energy: -56.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -977.518187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.518187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.518187 (E_RNA) where: Base-Base interactions energy: -500.037 where: short stacking energy: -305.124 Base-Backbone interact. energy: 7.512 local terms energy: -484.993211 where: bonds (distance) C4'-P energy: -116.992 bonds (distance) P-C4' energy: -130.326 flat angles C4'-P-C4' energy: -131.648 flat angles P-C4'-P energy: -69.369 tors. eta vs tors. theta energy: -36.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -767.903029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.903029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.903029 (E_RNA) where: Base-Base interactions energy: -395.604 where: short stacking energy: -245.561 Base-Backbone interact. energy: 4.781 local terms energy: -377.080063 where: bonds (distance) C4'-P energy: -111.650 bonds (distance) P-C4' energy: -120.625 flat angles C4'-P-C4' energy: -88.342 flat angles P-C4'-P energy: -46.536 tors. eta vs tors. theta energy: -9.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2669.513681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.513681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.513681 (E_RNA) where: Base-Base interactions energy: -1882.964 where: short stacking energy: -755.461 Base-Backbone interact. energy: -1.189 local terms energy: -785.360468 where: bonds (distance) C4'-P energy: -146.268 bonds (distance) P-C4' energy: -140.024 flat angles C4'-P-C4' energy: -166.840 flat angles P-C4'-P energy: -105.852 tors. eta vs tors. theta energy: -226.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2522.015636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.015636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.015636 (E_RNA) where: Base-Base interactions energy: -1732.058 where: short stacking energy: -742.753 Base-Backbone interact. energy: -3.932 local terms energy: -786.025881 where: bonds (distance) C4'-P energy: -146.012 bonds (distance) P-C4' energy: -142.803 flat angles C4'-P-C4' energy: -158.278 flat angles P-C4'-P energy: -109.588 tors. eta vs tors. theta energy: -229.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2431.672135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.672135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.672135 (E_RNA) where: Base-Base interactions energy: -1670.562 where: short stacking energy: -707.887 Base-Backbone interact. energy: -3.064 local terms energy: -758.046345 where: bonds (distance) C4'-P energy: -137.872 bonds (distance) P-C4' energy: -146.795 flat angles C4'-P-C4' energy: -174.880 flat angles P-C4'-P energy: -92.923 tors. eta vs tors. theta energy: -205.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2253.750521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.750521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.750521 (E_RNA) where: Base-Base interactions energy: -1540.367 where: short stacking energy: -679.876 Base-Backbone interact. energy: -1.184 local terms energy: -712.199469 where: bonds (distance) C4'-P energy: -139.993 bonds (distance) P-C4' energy: -114.054 flat angles C4'-P-C4' energy: -152.374 flat angles P-C4'-P energy: -96.826 tors. eta vs tors. theta energy: -208.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2106.212889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.212889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.212889 (E_RNA) where: Base-Base interactions energy: -1408.319 where: short stacking energy: -605.755 Base-Backbone interact. energy: 0.236 local terms energy: -698.129944 where: bonds (distance) C4'-P energy: -119.248 bonds (distance) P-C4' energy: -148.428 flat angles C4'-P-C4' energy: -139.964 flat angles P-C4'-P energy: -112.567 tors. eta vs tors. theta energy: -177.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1950.096050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.096050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.096050 (E_RNA) where: Base-Base interactions energy: -1283.668 where: short stacking energy: -570.480 Base-Backbone interact. energy: -2.324 local terms energy: -664.103729 where: bonds (distance) C4'-P energy: -121.214 bonds (distance) P-C4' energy: -124.029 flat angles C4'-P-C4' energy: -157.081 flat angles P-C4'-P energy: -102.196 tors. eta vs tors. theta energy: -159.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1910.846727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.846727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.846727 (E_RNA) where: Base-Base interactions energy: -1276.858 where: short stacking energy: -585.783 Base-Backbone interact. energy: -1.251 local terms energy: -632.737903 where: bonds (distance) C4'-P energy: -122.361 bonds (distance) P-C4' energy: -132.196 flat angles C4'-P-C4' energy: -140.283 flat angles P-C4'-P energy: -71.518 tors. eta vs tors. theta energy: -166.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1453.988988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.988988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.988988 (E_RNA) where: Base-Base interactions energy: -937.266 where: short stacking energy: -439.244 Base-Backbone interact. energy: -3.565 local terms energy: -513.157847 where: bonds (distance) C4'-P energy: -106.239 bonds (distance) P-C4' energy: -119.225 flat angles C4'-P-C4' energy: -128.752 flat angles P-C4'-P energy: -71.899 tors. eta vs tors. theta energy: -87.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -982.643578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.643578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.643578 (E_RNA) where: Base-Base interactions energy: -526.238 where: short stacking energy: -303.592 Base-Backbone interact. energy: -3.307 local terms energy: -453.098008 where: bonds (distance) C4'-P energy: -125.969 bonds (distance) P-C4' energy: -131.401 flat angles C4'-P-C4' energy: -107.350 flat angles P-C4'-P energy: -63.047 tors. eta vs tors. theta energy: -25.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -725.065293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.065293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.065293 (E_RNA) where: Base-Base interactions energy: -344.896 where: short stacking energy: -199.249 Base-Backbone interact. energy: 11.022 local terms energy: -391.191828 where: bonds (distance) C4'-P energy: -100.385 bonds (distance) P-C4' energy: -118.469 flat angles C4'-P-C4' energy: -89.459 flat angles P-C4'-P energy: -94.341 tors. eta vs tors. theta energy: 11.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2671.240295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.240295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.240295 (E_RNA) where: Base-Base interactions energy: -1879.206 where: short stacking energy: -761.655 Base-Backbone interact. energy: -2.983 local terms energy: -789.050968 where: bonds (distance) C4'-P energy: -141.573 bonds (distance) P-C4' energy: -149.399 flat angles C4'-P-C4' energy: -161.170 flat angles P-C4'-P energy: -112.511 tors. eta vs tors. theta energy: -224.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2526.736991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.736991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.736991 (E_RNA) where: Base-Base interactions energy: -1714.022 where: short stacking energy: -792.947 Base-Backbone interact. energy: -5.796 local terms energy: -806.918770 where: bonds (distance) C4'-P energy: -152.814 bonds (distance) P-C4' energy: -128.763 flat angles C4'-P-C4' energy: -173.234 flat angles P-C4'-P energy: -111.828 tors. eta vs tors. theta energy: -240.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2458.694238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.694238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.694238 (E_RNA) where: Base-Base interactions energy: -1695.637 where: short stacking energy: -724.992 Base-Backbone interact. energy: -0.501 local terms energy: -762.556396 where: bonds (distance) C4'-P energy: -146.555 bonds (distance) P-C4' energy: -132.501 flat angles C4'-P-C4' energy: -170.252 flat angles P-C4'-P energy: -109.377 tors. eta vs tors. theta energy: -203.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2282.487289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.487289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.487289 (E_RNA) where: Base-Base interactions energy: -1510.915 where: short stacking energy: -647.310 Base-Backbone interact. energy: -2.521 local terms energy: -769.051630 where: bonds (distance) C4'-P energy: -141.391 bonds (distance) P-C4' energy: -150.843 flat angles C4'-P-C4' energy: -168.271 flat angles P-C4'-P energy: -107.045 tors. eta vs tors. theta energy: -201.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2093.514324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.514324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.514324 (E_RNA) where: Base-Base interactions energy: -1418.680 where: short stacking energy: -620.808 Base-Backbone interact. energy: -2.328 local terms energy: -672.507075 where: bonds (distance) C4'-P energy: -124.186 bonds (distance) P-C4' energy: -152.114 flat angles C4'-P-C4' energy: -134.350 flat angles P-C4'-P energy: -95.598 tors. eta vs tors. theta energy: -166.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2031.003738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.003738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.003738 (E_RNA) where: Base-Base interactions energy: -1377.690 where: short stacking energy: -589.729 Base-Backbone interact. energy: -0.287 local terms energy: -653.027136 where: bonds (distance) C4'-P energy: -131.075 bonds (distance) P-C4' energy: -124.493 flat angles C4'-P-C4' energy: -136.035 flat angles P-C4'-P energy: -90.215 tors. eta vs tors. theta energy: -171.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1863.892215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.892215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.892215 (E_RNA) where: Base-Base interactions energy: -1242.399 where: short stacking energy: -543.401 Base-Backbone interact. energy: -0.958 local terms energy: -620.535767 where: bonds (distance) C4'-P energy: -122.136 bonds (distance) P-C4' energy: -132.314 flat angles C4'-P-C4' energy: -145.196 flat angles P-C4'-P energy: -88.371 tors. eta vs tors. theta energy: -132.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1497.256977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.256977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.256977 (E_RNA) where: Base-Base interactions energy: -965.405 where: short stacking energy: -450.508 Base-Backbone interact. energy: -1.441 local terms energy: -530.410284 where: bonds (distance) C4'-P energy: -117.992 bonds (distance) P-C4' energy: -137.938 flat angles C4'-P-C4' energy: -117.962 flat angles P-C4'-P energy: -72.744 tors. eta vs tors. theta energy: -83.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -909.715962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.715962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.715962 (E_RNA) where: Base-Base interactions energy: -491.185 where: short stacking energy: -243.827 Base-Backbone interact. energy: 0.388 local terms energy: -418.919785 where: bonds (distance) C4'-P energy: -128.897 bonds (distance) P-C4' energy: -129.739 flat angles C4'-P-C4' energy: -102.483 flat angles P-C4'-P energy: -53.732 tors. eta vs tors. theta energy: -4.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -698.391580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.391580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.391580 (E_RNA) where: Base-Base interactions energy: -322.856 where: short stacking energy: -200.905 Base-Backbone interact. energy: 5.417 local terms energy: -380.952618 where: bonds (distance) C4'-P energy: -117.853 bonds (distance) P-C4' energy: -132.680 flat angles C4'-P-C4' energy: -77.673 flat angles P-C4'-P energy: -77.132 tors. eta vs tors. theta energy: 24.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2637.859129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.859129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.859129 (E_RNA) where: Base-Base interactions energy: -1842.342 where: short stacking energy: -752.335 Base-Backbone interact. energy: -3.008 local terms energy: -792.509178 where: bonds (distance) C4'-P energy: -136.978 bonds (distance) P-C4' energy: -154.139 flat angles C4'-P-C4' energy: -177.079 flat angles P-C4'-P energy: -106.441 tors. eta vs tors. theta energy: -217.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2525.736798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.736798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.736798 (E_RNA) where: Base-Base interactions energy: -1723.973 where: short stacking energy: -774.758 Base-Backbone interact. energy: -4.195 local terms energy: -797.568358 where: bonds (distance) C4'-P energy: -146.200 bonds (distance) P-C4' energy: -138.490 flat angles C4'-P-C4' energy: -178.636 flat angles P-C4'-P energy: -97.021 tors. eta vs tors. theta energy: -237.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2459.370000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.370000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.370000 (E_RNA) where: Base-Base interactions energy: -1719.202 where: short stacking energy: -731.831 Base-Backbone interact. energy: 0.867 local terms energy: -741.035281 where: bonds (distance) C4'-P energy: -129.767 bonds (distance) P-C4' energy: -135.961 flat angles C4'-P-C4' energy: -157.791 flat angles P-C4'-P energy: -108.204 tors. eta vs tors. theta energy: -209.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2275.261604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.261604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.261604 (E_RNA) where: Base-Base interactions energy: -1550.181 where: short stacking energy: -675.409 Base-Backbone interact. energy: -1.509 local terms energy: -723.705748 where: bonds (distance) C4'-P energy: -137.428 bonds (distance) P-C4' energy: -140.206 flat angles C4'-P-C4' energy: -145.597 flat angles P-C4'-P energy: -100.978 tors. eta vs tors. theta energy: -199.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.134 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2075.909394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.909394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.909394 (E_RNA) where: Base-Base interactions energy: -1386.935 where: short stacking energy: -603.544 Base-Backbone interact. energy: -4.226 local terms energy: -684.748708 where: bonds (distance) C4'-P energy: -124.349 bonds (distance) P-C4' energy: -156.972 flat angles C4'-P-C4' energy: -146.850 flat angles P-C4'-P energy: -94.368 tors. eta vs tors. theta energy: -162.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2003.403410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.403410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.403410 (E_RNA) where: Base-Base interactions energy: -1378.588 where: short stacking energy: -603.452 Base-Backbone interact. energy: -1.037 local terms energy: -623.778644 where: bonds (distance) C4'-P energy: -108.921 bonds (distance) P-C4' energy: -128.273 flat angles C4'-P-C4' energy: -143.337 flat angles P-C4'-P energy: -77.253 tors. eta vs tors. theta energy: -165.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1855.507975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.507975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.507975 (E_RNA) where: Base-Base interactions energy: -1240.497 where: short stacking energy: -530.975 Base-Backbone interact. energy: -1.623 local terms energy: -613.388082 where: bonds (distance) C4'-P energy: -137.655 bonds (distance) P-C4' energy: -110.869 flat angles C4'-P-C4' energy: -142.622 flat angles P-C4'-P energy: -94.364 tors. eta vs tors. theta energy: -127.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1553.863755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.863755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.863755 (E_RNA) where: Base-Base interactions energy: -966.745 where: short stacking energy: -435.439 Base-Backbone interact. energy: -4.836 local terms energy: -582.282803 where: bonds (distance) C4'-P energy: -147.267 bonds (distance) P-C4' energy: -132.962 flat angles C4'-P-C4' energy: -110.650 flat angles P-C4'-P energy: -93.934 tors. eta vs tors. theta energy: -97.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -932.750462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.750462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.750462 (E_RNA) where: Base-Base interactions energy: -535.238 where: short stacking energy: -298.492 Base-Backbone interact. energy: -3.651 local terms energy: -393.861829 where: bonds (distance) C4'-P energy: -123.864 bonds (distance) P-C4' energy: -121.105 flat angles C4'-P-C4' energy: -104.621 flat angles P-C4'-P energy: -23.260 tors. eta vs tors. theta energy: -21.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -743.371407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.371407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.371407 (E_RNA) where: Base-Base interactions energy: -371.257 where: short stacking energy: -231.682 Base-Backbone interact. energy: -2.070 local terms energy: -370.043858 where: bonds (distance) C4'-P energy: -106.456 bonds (distance) P-C4' energy: -130.884 flat angles C4'-P-C4' energy: -99.527 flat angles P-C4'-P energy: -36.842 tors. eta vs tors. theta energy: 3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2659.005073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.005073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.005073 (E_RNA) where: Base-Base interactions energy: -1860.964 where: short stacking energy: -785.113 Base-Backbone interact. energy: -2.096 local terms energy: -795.945366 where: bonds (distance) C4'-P energy: -142.377 bonds (distance) P-C4' energy: -144.791 flat angles C4'-P-C4' energy: -162.384 flat angles P-C4'-P energy: -112.651 tors. eta vs tors. theta energy: -233.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2524.628303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.628303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.628303 (E_RNA) where: Base-Base interactions energy: -1713.721 where: short stacking energy: -777.919 Base-Backbone interact. energy: -1.921 local terms energy: -808.986915 where: bonds (distance) C4'-P energy: -139.239 bonds (distance) P-C4' energy: -157.362 flat angles C4'-P-C4' energy: -168.772 flat angles P-C4'-P energy: -115.330 tors. eta vs tors. theta energy: -228.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2468.153377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.153377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.153377 (E_RNA) where: Base-Base interactions energy: -1736.673 where: short stacking energy: -724.624 Base-Backbone interact. energy: -2.212 local terms energy: -729.269125 where: bonds (distance) C4'-P energy: -126.170 bonds (distance) P-C4' energy: -138.431 flat angles C4'-P-C4' energy: -146.350 flat angles P-C4'-P energy: -104.144 tors. eta vs tors. theta energy: -214.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2201.592226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.592226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.592226 (E_RNA) where: Base-Base interactions energy: -1482.639 where: short stacking energy: -633.463 Base-Backbone interact. energy: 4.389 local terms energy: -723.343103 where: bonds (distance) C4'-P energy: -142.159 bonds (distance) P-C4' energy: -140.396 flat angles C4'-P-C4' energy: -156.989 flat angles P-C4'-P energy: -98.827 tors. eta vs tors. theta energy: -184.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2053.383334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.383334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.383334 (E_RNA) where: Base-Base interactions energy: -1368.286 where: short stacking energy: -599.055 Base-Backbone interact. energy: 2.278 local terms energy: -687.375319 where: bonds (distance) C4'-P energy: -127.760 bonds (distance) P-C4' energy: -138.565 flat angles C4'-P-C4' energy: -151.867 flat angles P-C4'-P energy: -94.558 tors. eta vs tors. theta energy: -174.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2020.973198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.973198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.973198 (E_RNA) where: Base-Base interactions energy: -1356.130 where: short stacking energy: -593.385 Base-Backbone interact. energy: -0.200 local terms energy: -664.643208 where: bonds (distance) C4'-P energy: -126.698 bonds (distance) P-C4' energy: -136.872 flat angles C4'-P-C4' energy: -142.464 flat angles P-C4'-P energy: -94.219 tors. eta vs tors. theta energy: -164.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1837.813702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.813702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.813702 (E_RNA) where: Base-Base interactions energy: -1251.193 where: short stacking energy: -553.522 Base-Backbone interact. energy: -3.387 local terms energy: -583.234244 where: bonds (distance) C4'-P energy: -124.189 bonds (distance) P-C4' energy: -115.530 flat angles C4'-P-C4' energy: -123.365 flat angles P-C4'-P energy: -81.094 tors. eta vs tors. theta energy: -139.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1542.480982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.480982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.480982 (E_RNA) where: Base-Base interactions energy: -1022.777 where: short stacking energy: -420.710 Base-Backbone interact. energy: -1.212 local terms energy: -518.492011 where: bonds (distance) C4'-P energy: -116.267 bonds (distance) P-C4' energy: -119.667 flat angles C4'-P-C4' energy: -130.214 flat angles P-C4'-P energy: -64.838 tors. eta vs tors. theta energy: -87.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -920.779078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.779078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.779078 (E_RNA) where: Base-Base interactions energy: -474.396 where: short stacking energy: -281.564 Base-Backbone interact. energy: 1.953 local terms energy: -448.336409 where: bonds (distance) C4'-P energy: -136.509 bonds (distance) P-C4' energy: -108.393 flat angles C4'-P-C4' energy: -118.369 flat angles P-C4'-P energy: -66.147 tors. eta vs tors. theta energy: -18.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -746.287986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.287986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.287986 (E_RNA) where: Base-Base interactions energy: -361.684 where: short stacking energy: -216.070 Base-Backbone interact. energy: 0.786 local terms energy: -387.152403 where: bonds (distance) C4'-P energy: -136.386 bonds (distance) P-C4' energy: -124.171 flat angles C4'-P-C4' energy: -95.122 flat angles P-C4'-P energy: -39.737 tors. eta vs tors. theta energy: 8.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.763 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2650.895299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.895299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.895299 (E_RNA) where: Base-Base interactions energy: -1843.197 where: short stacking energy: -778.973 Base-Backbone interact. energy: -1.950 local terms energy: -805.747904 where: bonds (distance) C4'-P energy: -144.731 bonds (distance) P-C4' energy: -157.761 flat angles C4'-P-C4' energy: -165.901 flat angles P-C4'-P energy: -108.511 tors. eta vs tors. theta energy: -228.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2537.612021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.612021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.612021 (E_RNA) where: Base-Base interactions energy: -1731.921 where: short stacking energy: -754.256 Base-Backbone interact. energy: -4.947 local terms energy: -800.744156 where: bonds (distance) C4'-P energy: -136.447 bonds (distance) P-C4' energy: -155.616 flat angles C4'-P-C4' energy: -167.496 flat angles P-C4'-P energy: -111.496 tors. eta vs tors. theta energy: -229.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2441.283824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.283824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.283824 (E_RNA) where: Base-Base interactions energy: -1720.906 where: short stacking energy: -712.530 Base-Backbone interact. energy: -0.231 local terms energy: -720.147228 where: bonds (distance) C4'-P energy: -141.659 bonds (distance) P-C4' energy: -113.647 flat angles C4'-P-C4' energy: -167.939 flat angles P-C4'-P energy: -105.056 tors. eta vs tors. theta energy: -191.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2289.257974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.257974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.257974 (E_RNA) where: Base-Base interactions energy: -1552.058 where: short stacking energy: -647.300 Base-Backbone interact. energy: -1.082 local terms energy: -736.118120 where: bonds (distance) C4'-P energy: -139.752 bonds (distance) P-C4' energy: -142.147 flat angles C4'-P-C4' energy: -155.561 flat angles P-C4'-P energy: -103.716 tors. eta vs tors. theta energy: -194.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1996.276284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.276284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.276284 (E_RNA) where: Base-Base interactions energy: -1339.082 where: short stacking energy: -591.189 Base-Backbone interact. energy: -1.352 local terms energy: -655.842414 where: bonds (distance) C4'-P energy: -125.366 bonds (distance) P-C4' energy: -132.984 flat angles C4'-P-C4' energy: -150.368 flat angles P-C4'-P energy: -93.985 tors. eta vs tors. theta energy: -153.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2045.091927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.091927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.091927 (E_RNA) where: Base-Base interactions energy: -1379.073 where: short stacking energy: -595.394 Base-Backbone interact. energy: 4.860 local terms energy: -670.878251 where: bonds (distance) C4'-P energy: -130.000 bonds (distance) P-C4' energy: -124.936 flat angles C4'-P-C4' energy: -159.172 flat angles P-C4'-P energy: -91.020 tors. eta vs tors. theta energy: -165.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1763.051747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.051747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.051747 (E_RNA) where: Base-Base interactions energy: -1180.473 where: short stacking energy: -490.669 Base-Backbone interact. energy: -2.086 local terms energy: -580.492543 where: bonds (distance) C4'-P energy: -123.336 bonds (distance) P-C4' energy: -124.015 flat angles C4'-P-C4' energy: -129.901 flat angles P-C4'-P energy: -87.990 tors. eta vs tors. theta energy: -115.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1525.391714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.391714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.391714 (E_RNA) where: Base-Base interactions energy: -978.368 where: short stacking energy: -432.697 Base-Backbone interact. energy: 4.002 local terms energy: -551.025683 where: bonds (distance) C4'-P energy: -130.782 bonds (distance) P-C4' energy: -123.169 flat angles C4'-P-C4' energy: -140.920 flat angles P-C4'-P energy: -57.693 tors. eta vs tors. theta energy: -98.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -957.710821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.710821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.710821 (E_RNA) where: Base-Base interactions energy: -508.698 where: short stacking energy: -257.548 Base-Backbone interact. energy: 1.168 local terms energy: -450.180869 where: bonds (distance) C4'-P energy: -125.618 bonds (distance) P-C4' energy: -125.631 flat angles C4'-P-C4' energy: -98.819 flat angles P-C4'-P energy: -68.659 tors. eta vs tors. theta energy: -31.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -756.043911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.043911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.043911 (E_RNA) where: Base-Base interactions energy: -324.956 where: short stacking energy: -182.202 Base-Backbone interact. energy: -4.379 local terms energy: -426.708547 where: bonds (distance) C4'-P energy: -119.468 bonds (distance) P-C4' energy: -133.864 flat angles C4'-P-C4' energy: -121.249 flat angles P-C4'-P energy: -55.042 tors. eta vs tors. theta energy: 2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2669.095012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.095012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.095012 (E_RNA) where: Base-Base interactions energy: -1869.034 where: short stacking energy: -779.752 Base-Backbone interact. energy: -5.947 local terms energy: -794.114160 where: bonds (distance) C4'-P energy: -137.095 bonds (distance) P-C4' energy: -147.641 flat angles C4'-P-C4' energy: -161.475 flat angles P-C4'-P energy: -121.378 tors. eta vs tors. theta energy: -226.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2544.909978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.909978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.909978 (E_RNA) where: Base-Base interactions energy: -1752.577 where: short stacking energy: -757.688 Base-Backbone interact. energy: -3.209 local terms energy: -789.124673 where: bonds (distance) C4'-P energy: -132.806 bonds (distance) P-C4' energy: -149.223 flat angles C4'-P-C4' energy: -173.450 flat angles P-C4'-P energy: -115.228 tors. eta vs tors. theta energy: -218.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2448.441619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.441619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.441619 (E_RNA) where: Base-Base interactions energy: -1721.201 where: short stacking energy: -714.932 Base-Backbone interact. energy: 3.885 local terms energy: -731.126492 where: bonds (distance) C4'-P energy: -136.691 bonds (distance) P-C4' energy: -146.133 flat angles C4'-P-C4' energy: -157.168 flat angles P-C4'-P energy: -104.261 tors. eta vs tors. theta energy: -186.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2310.691681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.691681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.691681 (E_RNA) where: Base-Base interactions energy: -1578.920 where: short stacking energy: -694.627 Base-Backbone interact. energy: -2.278 local terms energy: -729.494371 where: bonds (distance) C4'-P energy: -140.238 bonds (distance) P-C4' energy: -142.581 flat angles C4'-P-C4' energy: -144.654 flat angles P-C4'-P energy: -93.138 tors. eta vs tors. theta energy: -208.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2121.085545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.085545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.085545 (E_RNA) where: Base-Base interactions energy: -1443.261 where: short stacking energy: -604.559 Base-Backbone interact. energy: 0.133 local terms energy: -677.958059 where: bonds (distance) C4'-P energy: -135.033 bonds (distance) P-C4' energy: -135.506 flat angles C4'-P-C4' energy: -150.766 flat angles P-C4'-P energy: -88.963 tors. eta vs tors. theta energy: -167.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1983.203592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.203592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.203592 (E_RNA) where: Base-Base interactions energy: -1323.536 where: short stacking energy: -582.537 Base-Backbone interact. energy: -3.966 local terms energy: -655.701230 where: bonds (distance) C4'-P energy: -128.698 bonds (distance) P-C4' energy: -129.184 flat angles C4'-P-C4' energy: -148.203 flat angles P-C4'-P energy: -92.237 tors. eta vs tors. theta energy: -157.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1728.946309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.946309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.946309 (E_RNA) where: Base-Base interactions energy: -1158.143 where: short stacking energy: -463.736 Base-Backbone interact. energy: 1.227 local terms energy: -572.030403 where: bonds (distance) C4'-P energy: -114.744 bonds (distance) P-C4' energy: -140.560 flat angles C4'-P-C4' energy: -132.504 flat angles P-C4'-P energy: -84.982 tors. eta vs tors. theta energy: -99.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1549.046552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.046552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.046552 (E_RNA) where: Base-Base interactions energy: -1009.247 where: short stacking energy: -412.334 Base-Backbone interact. energy: 1.358 local terms energy: -541.157251 where: bonds (distance) C4'-P energy: -128.474 bonds (distance) P-C4' energy: -143.668 flat angles C4'-P-C4' energy: -119.414 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: -67.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -961.238630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.238630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.238630 (E_RNA) where: Base-Base interactions energy: -515.783 where: short stacking energy: -293.461 Base-Backbone interact. energy: -4.796 local terms energy: -440.659409 where: bonds (distance) C4'-P energy: -107.656 bonds (distance) P-C4' energy: -136.633 flat angles C4'-P-C4' energy: -105.856 flat angles P-C4'-P energy: -66.120 tors. eta vs tors. theta energy: -24.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -702.876016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.876016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.876016 (E_RNA) where: Base-Base interactions energy: -316.843 where: short stacking energy: -202.973 Base-Backbone interact. energy: -0.528 local terms energy: -385.505849 where: bonds (distance) C4'-P energy: -123.315 bonds (distance) P-C4' energy: -129.078 flat angles C4'-P-C4' energy: -78.366 flat angles P-C4'-P energy: -68.328 tors. eta vs tors. theta energy: 13.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2671.109328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.109328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.109328 (E_RNA) where: Base-Base interactions energy: -1829.475 where: short stacking energy: -775.617 Base-Backbone interact. energy: -3.341 local terms energy: -838.293466 where: bonds (distance) C4'-P energy: -153.796 bonds (distance) P-C4' energy: -146.574 flat angles C4'-P-C4' energy: -175.024 flat angles P-C4'-P energy: -128.863 tors. eta vs tors. theta energy: -234.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2528.026966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.026966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.026966 (E_RNA) where: Base-Base interactions energy: -1741.063 where: short stacking energy: -757.897 Base-Backbone interact. energy: -0.501 local terms energy: -786.462997 where: bonds (distance) C4'-P energy: -144.470 bonds (distance) P-C4' energy: -150.776 flat angles C4'-P-C4' energy: -155.410 flat angles P-C4'-P energy: -106.804 tors. eta vs tors. theta energy: -229.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2472.636530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.636530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.636530 (E_RNA) where: Base-Base interactions energy: -1689.195 where: short stacking energy: -719.812 Base-Backbone interact. energy: -1.267 local terms energy: -782.174680 where: bonds (distance) C4'-P energy: -146.724 bonds (distance) P-C4' energy: -142.025 flat angles C4'-P-C4' energy: -172.802 flat angles P-C4'-P energy: -112.336 tors. eta vs tors. theta energy: -208.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2301.022155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.022155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.022155 (E_RNA) where: Base-Base interactions energy: -1541.105 where: short stacking energy: -670.848 Base-Backbone interact. energy: -3.093 local terms energy: -756.824256 where: bonds (distance) C4'-P energy: -145.007 bonds (distance) P-C4' energy: -149.892 flat angles C4'-P-C4' energy: -159.182 flat angles P-C4'-P energy: -99.392 tors. eta vs tors. theta energy: -203.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2243.874473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.874473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.874473 (E_RNA) where: Base-Base interactions energy: -1551.196 where: short stacking energy: -631.828 Base-Backbone interact. energy: -1.836 local terms energy: -690.842389 where: bonds (distance) C4'-P energy: -143.616 bonds (distance) P-C4' energy: -131.009 flat angles C4'-P-C4' energy: -137.689 flat angles P-C4'-P energy: -98.108 tors. eta vs tors. theta energy: -180.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2021.324159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.324159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.324159 (E_RNA) where: Base-Base interactions energy: -1350.782 where: short stacking energy: -617.553 Base-Backbone interact. energy: -0.163 local terms energy: -670.378956 where: bonds (distance) C4'-P energy: -102.167 bonds (distance) P-C4' energy: -148.406 flat angles C4'-P-C4' energy: -151.149 flat angles P-C4'-P energy: -95.161 tors. eta vs tors. theta energy: -173.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1773.607084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.607084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.607084 (E_RNA) where: Base-Base interactions energy: -1220.935 where: short stacking energy: -507.706 Base-Backbone interact. energy: 0.991 local terms energy: -553.663157 where: bonds (distance) C4'-P energy: -101.594 bonds (distance) P-C4' energy: -125.311 flat angles C4'-P-C4' energy: -128.860 flat angles P-C4'-P energy: -79.976 tors. eta vs tors. theta energy: -117.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1460.111602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.111602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.111602 (E_RNA) where: Base-Base interactions energy: -957.707 where: short stacking energy: -405.744 Base-Backbone interact. energy: -2.322 local terms energy: -500.082419 where: bonds (distance) C4'-P energy: -111.177 bonds (distance) P-C4' energy: -119.795 flat angles C4'-P-C4' energy: -125.057 flat angles P-C4'-P energy: -60.311 tors. eta vs tors. theta energy: -83.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -914.744113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.744113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.744113 (E_RNA) where: Base-Base interactions energy: -499.213 where: short stacking energy: -261.856 Base-Backbone interact. energy: 2.295 local terms energy: -419.552414 where: bonds (distance) C4'-P energy: -107.967 bonds (distance) P-C4' energy: -111.447 flat angles C4'-P-C4' energy: -101.147 flat angles P-C4'-P energy: -61.682 tors. eta vs tors. theta energy: -37.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.726 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -687.942674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.942674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.942674 (E_RNA) where: Base-Base interactions energy: -298.477 where: short stacking energy: -189.744 Base-Backbone interact. energy: 2.442 local terms energy: -391.908094 where: bonds (distance) C4'-P energy: -115.066 bonds (distance) P-C4' energy: -110.543 flat angles C4'-P-C4' energy: -100.758 flat angles P-C4'-P energy: -81.160 tors. eta vs tors. theta energy: 15.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2658.288296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.288296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.288296 (E_RNA) where: Base-Base interactions energy: -1865.159 where: short stacking energy: -772.224 Base-Backbone interact. energy: -2.408 local terms energy: -790.721598 where: bonds (distance) C4'-P energy: -152.194 bonds (distance) P-C4' energy: -128.152 flat angles C4'-P-C4' energy: -167.008 flat angles P-C4'-P energy: -112.314 tors. eta vs tors. theta energy: -231.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2475.519972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.519972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.519972 (E_RNA) where: Base-Base interactions energy: -1692.856 where: short stacking energy: -750.080 Base-Backbone interact. energy: -3.591 local terms energy: -779.073186 where: bonds (distance) C4'-P energy: -145.067 bonds (distance) P-C4' energy: -151.553 flat angles C4'-P-C4' energy: -163.423 flat angles P-C4'-P energy: -102.754 tors. eta vs tors. theta energy: -216.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2469.817462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.817462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.817462 (E_RNA) where: Base-Base interactions energy: -1693.239 where: short stacking energy: -735.215 Base-Backbone interact. energy: 0.903 local terms energy: -777.481233 where: bonds (distance) C4'-P energy: -158.548 bonds (distance) P-C4' energy: -143.368 flat angles C4'-P-C4' energy: -149.845 flat angles P-C4'-P energy: -111.628 tors. eta vs tors. theta energy: -214.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2289.341141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.341141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.341141 (E_RNA) where: Base-Base interactions energy: -1581.599 where: short stacking energy: -658.775 Base-Backbone interact. energy: -1.599 local terms energy: -706.142730 where: bonds (distance) C4'-P energy: -129.374 bonds (distance) P-C4' energy: -130.806 flat angles C4'-P-C4' energy: -158.148 flat angles P-C4'-P energy: -98.486 tors. eta vs tors. theta energy: -189.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2154.340698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.340698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.340698 (E_RNA) where: Base-Base interactions energy: -1452.348 where: short stacking energy: -656.695 Base-Backbone interact. energy: -0.854 local terms energy: -701.139368 where: bonds (distance) C4'-P energy: -123.706 bonds (distance) P-C4' energy: -132.329 flat angles C4'-P-C4' energy: -154.475 flat angles P-C4'-P energy: -89.093 tors. eta vs tors. theta energy: -201.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1946.353639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.353639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.353639 (E_RNA) where: Base-Base interactions energy: -1307.530 where: short stacking energy: -566.926 Base-Backbone interact. energy: 3.581 local terms energy: -642.403960 where: bonds (distance) C4'-P energy: -125.762 bonds (distance) P-C4' energy: -148.469 flat angles C4'-P-C4' energy: -136.076 flat angles P-C4'-P energy: -83.548 tors. eta vs tors. theta energy: -148.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1861.533922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.533922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.533922 (E_RNA) where: Base-Base interactions energy: -1259.439 where: short stacking energy: -533.732 Base-Backbone interact. energy: -0.683 local terms energy: -601.411967 where: bonds (distance) C4'-P energy: -128.853 bonds (distance) P-C4' energy: -117.214 flat angles C4'-P-C4' energy: -135.087 flat angles P-C4'-P energy: -86.162 tors. eta vs tors. theta energy: -134.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1468.898512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.898512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.898512 (E_RNA) where: Base-Base interactions energy: -923.890 where: short stacking energy: -421.707 Base-Backbone interact. energy: -0.306 local terms energy: -545.434035 where: bonds (distance) C4'-P energy: -127.901 bonds (distance) P-C4' energy: -117.852 flat angles C4'-P-C4' energy: -129.627 flat angles P-C4'-P energy: -74.867 tors. eta vs tors. theta energy: -95.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.731 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -915.593412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.593412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.593412 (E_RNA) where: Base-Base interactions energy: -492.377 where: short stacking energy: -266.483 Base-Backbone interact. energy: 0.280 local terms energy: -423.496542 where: bonds (distance) C4'-P energy: -122.323 bonds (distance) P-C4' energy: -105.223 flat angles C4'-P-C4' energy: -104.290 flat angles P-C4'-P energy: -66.694 tors. eta vs tors. theta energy: -24.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -687.054190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.054190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.054190 (E_RNA) where: Base-Base interactions energy: -298.172 where: short stacking energy: -202.368 Base-Backbone interact. energy: 2.733 local terms energy: -391.615264 where: bonds (distance) C4'-P energy: -120.351 bonds (distance) P-C4' energy: -129.601 flat angles C4'-P-C4' energy: -111.969 flat angles P-C4'-P energy: -52.511 tors. eta vs tors. theta energy: 22.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2666.099083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.099083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.099083 (E_RNA) where: Base-Base interactions energy: -1862.868 where: short stacking energy: -788.146 Base-Backbone interact. energy: -0.197 local terms energy: -803.034179 where: bonds (distance) C4'-P energy: -147.877 bonds (distance) P-C4' energy: -146.114 flat angles C4'-P-C4' energy: -163.065 flat angles P-C4'-P energy: -112.258 tors. eta vs tors. theta energy: -233.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2517.936700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.936700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.936700 (E_RNA) where: Base-Base interactions energy: -1726.960 where: short stacking energy: -756.118 Base-Backbone interact. energy: -1.107 local terms energy: -789.869296 where: bonds (distance) C4'-P energy: -132.825 bonds (distance) P-C4' energy: -147.680 flat angles C4'-P-C4' energy: -176.063 flat angles P-C4'-P energy: -113.632 tors. eta vs tors. theta energy: -219.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2474.111002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.111002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.111002 (E_RNA) where: Base-Base interactions energy: -1726.300 where: short stacking energy: -732.984 Base-Backbone interact. energy: -2.792 local terms energy: -745.018285 where: bonds (distance) C4'-P energy: -124.751 bonds (distance) P-C4' energy: -151.191 flat angles C4'-P-C4' energy: -146.799 flat angles P-C4'-P energy: -102.369 tors. eta vs tors. theta energy: -219.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2301.733776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.733776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.733776 (E_RNA) where: Base-Base interactions energy: -1591.626 where: short stacking energy: -698.140 Base-Backbone interact. energy: -1.749 local terms energy: -708.358474 where: bonds (distance) C4'-P energy: -110.425 bonds (distance) P-C4' energy: -134.123 flat angles C4'-P-C4' energy: -164.052 flat angles P-C4'-P energy: -99.528 tors. eta vs tors. theta energy: -200.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2211.517670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.517670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.517670 (E_RNA) where: Base-Base interactions energy: -1511.255 where: short stacking energy: -642.222 Base-Backbone interact. energy: -1.429 local terms energy: -698.833822 where: bonds (distance) C4'-P energy: -127.956 bonds (distance) P-C4' energy: -132.554 flat angles C4'-P-C4' energy: -145.417 flat angles P-C4'-P energy: -103.784 tors. eta vs tors. theta energy: -189.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1957.079361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.079361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.079361 (E_RNA) where: Base-Base interactions energy: -1306.040 where: short stacking energy: -555.801 Base-Backbone interact. energy: -1.498 local terms energy: -649.541236 where: bonds (distance) C4'-P energy: -134.755 bonds (distance) P-C4' energy: -140.445 flat angles C4'-P-C4' energy: -146.397 flat angles P-C4'-P energy: -80.000 tors. eta vs tors. theta energy: -147.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1899.717525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.717525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.717525 (E_RNA) where: Base-Base interactions energy: -1294.535 where: short stacking energy: -528.082 Base-Backbone interact. energy: -3.709 local terms energy: -601.473502 where: bonds (distance) C4'-P energy: -122.501 bonds (distance) P-C4' energy: -139.278 flat angles C4'-P-C4' energy: -125.027 flat angles P-C4'-P energy: -77.508 tors. eta vs tors. theta energy: -137.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1417.937433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.937433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.937433 (E_RNA) where: Base-Base interactions energy: -900.947 where: short stacking energy: -406.762 Base-Backbone interact. energy: 2.633 local terms energy: -519.623317 where: bonds (distance) C4'-P energy: -123.790 bonds (distance) P-C4' energy: -123.992 flat angles C4'-P-C4' energy: -136.950 flat angles P-C4'-P energy: -67.870 tors. eta vs tors. theta energy: -67.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -908.505935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.505935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.505935 (E_RNA) where: Base-Base interactions energy: -480.260 where: short stacking energy: -281.286 Base-Backbone interact. energy: 2.776 local terms energy: -431.021962 where: bonds (distance) C4'-P energy: -118.596 bonds (distance) P-C4' energy: -128.075 flat angles C4'-P-C4' energy: -105.786 flat angles P-C4'-P energy: -58.147 tors. eta vs tors. theta energy: -20.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -743.870088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.870088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.870088 (E_RNA) where: Base-Base interactions energy: -334.042 where: short stacking energy: -195.297 Base-Backbone interact. energy: 6.233 local terms energy: -416.061272 where: bonds (distance) C4'-P energy: -113.920 bonds (distance) P-C4' energy: -131.424 flat angles C4'-P-C4' energy: -108.413 flat angles P-C4'-P energy: -66.154 tors. eta vs tors. theta energy: 3.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2663.357163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.357163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.357163 (E_RNA) where: Base-Base interactions energy: -1830.041 where: short stacking energy: -797.138 Base-Backbone interact. energy: -2.705 local terms energy: -830.611577 where: bonds (distance) C4'-P energy: -152.357 bonds (distance) P-C4' energy: -142.576 flat angles C4'-P-C4' energy: -174.368 flat angles P-C4'-P energy: -124.201 tors. eta vs tors. theta energy: -237.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2471.960908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.960908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.960908 (E_RNA) where: Base-Base interactions energy: -1684.684 where: short stacking energy: -737.601 Base-Backbone interact. energy: -3.654 local terms energy: -783.622998 where: bonds (distance) C4'-P energy: -146.518 bonds (distance) P-C4' energy: -150.864 flat angles C4'-P-C4' energy: -166.936 flat angles P-C4'-P energy: -105.319 tors. eta vs tors. theta energy: -213.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2468.944674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.944674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.944674 (E_RNA) where: Base-Base interactions energy: -1709.571 where: short stacking energy: -701.373 Base-Backbone interact. energy: -4.249 local terms energy: -755.125501 where: bonds (distance) C4'-P energy: -151.027 bonds (distance) P-C4' energy: -146.018 flat angles C4'-P-C4' energy: -162.828 flat angles P-C4'-P energy: -91.929 tors. eta vs tors. theta energy: -203.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2247.502399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.502399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.502399 (E_RNA) where: Base-Base interactions energy: -1499.997 where: short stacking energy: -656.712 Base-Backbone interact. energy: -2.937 local terms energy: -744.568377 where: bonds (distance) C4'-P energy: -146.884 bonds (distance) P-C4' energy: -145.047 flat angles C4'-P-C4' energy: -154.684 flat angles P-C4'-P energy: -115.743 tors. eta vs tors. theta energy: -182.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2176.938668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.938668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.938668 (E_RNA) where: Base-Base interactions energy: -1482.029 where: short stacking energy: -642.068 Base-Backbone interact. energy: -2.629 local terms energy: -692.280319 where: bonds (distance) C4'-P energy: -123.371 bonds (distance) P-C4' energy: -123.702 flat angles C4'-P-C4' energy: -159.423 flat angles P-C4'-P energy: -106.081 tors. eta vs tors. theta energy: -179.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1943.256536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.256536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.256536 (E_RNA) where: Base-Base interactions energy: -1313.746 where: short stacking energy: -565.137 Base-Backbone interact. energy: -2.719 local terms energy: -626.791369 where: bonds (distance) C4'-P energy: -125.484 bonds (distance) P-C4' energy: -126.906 flat angles C4'-P-C4' energy: -130.290 flat angles P-C4'-P energy: -93.144 tors. eta vs tors. theta energy: -150.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1895.128209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.128209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.128209 (E_RNA) where: Base-Base interactions energy: -1297.279 where: short stacking energy: -552.321 Base-Backbone interact. energy: -1.382 local terms energy: -596.467637 where: bonds (distance) C4'-P energy: -121.792 bonds (distance) P-C4' energy: -124.914 flat angles C4'-P-C4' energy: -144.838 flat angles P-C4'-P energy: -72.573 tors. eta vs tors. theta energy: -132.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1378.515499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.515499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.515499 (E_RNA) where: Base-Base interactions energy: -847.938 where: short stacking energy: -380.397 Base-Backbone interact. energy: 0.007 local terms energy: -530.583772 where: bonds (distance) C4'-P energy: -110.856 bonds (distance) P-C4' energy: -144.459 flat angles C4'-P-C4' energy: -119.090 flat angles P-C4'-P energy: -80.617 tors. eta vs tors. theta energy: -75.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -918.782332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.782332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.782332 (E_RNA) where: Base-Base interactions energy: -476.100 where: short stacking energy: -279.847 Base-Backbone interact. energy: 2.308 local terms energy: -444.990193 where: bonds (distance) C4'-P energy: -98.520 bonds (distance) P-C4' energy: -125.788 flat angles C4'-P-C4' energy: -115.488 flat angles P-C4'-P energy: -80.547 tors. eta vs tors. theta energy: -24.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -711.807178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.807178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.807178 (E_RNA) where: Base-Base interactions energy: -303.556 where: short stacking energy: -195.694 Base-Backbone interact. energy: -3.903 local terms energy: -404.348823 where: bonds (distance) C4'-P energy: -125.787 bonds (distance) P-C4' energy: -127.224 flat angles C4'-P-C4' energy: -79.418 flat angles P-C4'-P energy: -60.124 tors. eta vs tors. theta energy: -11.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2670.115640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.115640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.115640 (E_RNA) where: Base-Base interactions energy: -1834.747 where: short stacking energy: -798.324 Base-Backbone interact. energy: -4.863 local terms energy: -830.505736 where: bonds (distance) C4'-P energy: -160.007 bonds (distance) P-C4' energy: -153.718 flat angles C4'-P-C4' energy: -175.015 flat angles P-C4'-P energy: -101.766 tors. eta vs tors. theta energy: -240.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2494.710269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.710269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.710269 (E_RNA) where: Base-Base interactions energy: -1694.267 where: short stacking energy: -703.531 Base-Backbone interact. energy: -2.643 local terms energy: -797.800376 where: bonds (distance) C4'-P energy: -152.339 bonds (distance) P-C4' energy: -154.737 flat angles C4'-P-C4' energy: -171.400 flat angles P-C4'-P energy: -110.507 tors. eta vs tors. theta energy: -208.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2480.607265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.607265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.607265 (E_RNA) where: Base-Base interactions energy: -1703.499 where: short stacking energy: -744.673 Base-Backbone interact. energy: -0.627 local terms energy: -776.481556 where: bonds (distance) C4'-P energy: -134.454 bonds (distance) P-C4' energy: -144.553 flat angles C4'-P-C4' energy: -163.469 flat angles P-C4'-P energy: -109.564 tors. eta vs tors. theta energy: -224.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2196.135451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.135451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.135451 (E_RNA) where: Base-Base interactions energy: -1487.632 where: short stacking energy: -636.120 Base-Backbone interact. energy: -1.604 local terms energy: -706.899388 where: bonds (distance) C4'-P energy: -131.086 bonds (distance) P-C4' energy: -149.953 flat angles C4'-P-C4' energy: -152.450 flat angles P-C4'-P energy: -95.965 tors. eta vs tors. theta energy: -177.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2170.874777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.874777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.874777 (E_RNA) where: Base-Base interactions energy: -1487.220 where: short stacking energy: -622.385 Base-Backbone interact. energy: -0.865 local terms energy: -682.790062 where: bonds (distance) C4'-P energy: -143.418 bonds (distance) P-C4' energy: -146.187 flat angles C4'-P-C4' energy: -135.507 flat angles P-C4'-P energy: -84.546 tors. eta vs tors. theta energy: -173.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1971.932307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.932307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.932307 (E_RNA) where: Base-Base interactions energy: -1323.616 where: short stacking energy: -573.624 Base-Backbone interact. energy: -3.998 local terms energy: -644.318760 where: bonds (distance) C4'-P energy: -110.847 bonds (distance) P-C4' energy: -140.567 flat angles C4'-P-C4' energy: -149.812 flat angles P-C4'-P energy: -87.808 tors. eta vs tors. theta energy: -155.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1888.414350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.414350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.414350 (E_RNA) where: Base-Base interactions energy: -1260.385 where: short stacking energy: -547.823 Base-Backbone interact. energy: 1.034 local terms energy: -629.063028 where: bonds (distance) C4'-P energy: -137.821 bonds (distance) P-C4' energy: -137.773 flat angles C4'-P-C4' energy: -134.155 flat angles P-C4'-P energy: -89.358 tors. eta vs tors. theta energy: -129.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1410.342624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.342624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.342624 (E_RNA) where: Base-Base interactions energy: -918.031 where: short stacking energy: -436.929 Base-Backbone interact. energy: -1.607 local terms energy: -490.705261 where: bonds (distance) C4'-P energy: -111.952 bonds (distance) P-C4' energy: -114.503 flat angles C4'-P-C4' energy: -124.363 flat angles P-C4'-P energy: -71.446 tors. eta vs tors. theta energy: -68.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -858.324088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.324088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.324088 (E_RNA) where: Base-Base interactions energy: -440.171 where: short stacking energy: -266.135 Base-Backbone interact. energy: 2.379 local terms energy: -420.532079 where: bonds (distance) C4'-P energy: -122.838 bonds (distance) P-C4' energy: -124.259 flat angles C4'-P-C4' energy: -116.202 flat angles P-C4'-P energy: -63.453 tors. eta vs tors. theta energy: 6.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -730.721410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.721410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.721410 (E_RNA) where: Base-Base interactions energy: -350.370 where: short stacking energy: -217.764 Base-Backbone interact. energy: -0.757 local terms energy: -379.594599 where: bonds (distance) C4'-P energy: -119.734 bonds (distance) P-C4' energy: -113.958 flat angles C4'-P-C4' energy: -105.447 flat angles P-C4'-P energy: -52.479 tors. eta vs tors. theta energy: 12.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2664.389873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.389873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.389873 (E_RNA) where: Base-Base interactions energy: -1851.661 where: short stacking energy: -776.932 Base-Backbone interact. energy: -3.381 local terms energy: -809.347525 where: bonds (distance) C4'-P energy: -139.475 bonds (distance) P-C4' energy: -154.164 flat angles C4'-P-C4' energy: -177.410 flat angles P-C4'-P energy: -109.759 tors. eta vs tors. theta energy: -228.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2511.169931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.169931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.169931 (E_RNA) where: Base-Base interactions energy: -1728.262 where: short stacking energy: -713.143 Base-Backbone interact. energy: -1.414 local terms energy: -781.493439 where: bonds (distance) C4'-P energy: -148.388 bonds (distance) P-C4' energy: -146.172 flat angles C4'-P-C4' energy: -170.679 flat angles P-C4'-P energy: -112.472 tors. eta vs tors. theta energy: -203.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2464.692040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.692040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.692040 (E_RNA) where: Base-Base interactions energy: -1679.068 where: short stacking energy: -744.760 Base-Backbone interact. energy: -0.609 local terms energy: -785.015317 where: bonds (distance) C4'-P energy: -147.185 bonds (distance) P-C4' energy: -146.532 flat angles C4'-P-C4' energy: -164.889 flat angles P-C4'-P energy: -104.767 tors. eta vs tors. theta energy: -221.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2201.373655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.373655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.373655 (E_RNA) where: Base-Base interactions energy: -1493.233 where: short stacking energy: -658.021 Base-Backbone interact. energy: 0.276 local terms energy: -708.416586 where: bonds (distance) C4'-P energy: -129.394 bonds (distance) P-C4' energy: -149.770 flat angles C4'-P-C4' energy: -157.492 flat angles P-C4'-P energy: -92.806 tors. eta vs tors. theta energy: -178.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2187.527558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.527558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.527558 (E_RNA) where: Base-Base interactions energy: -1470.199 where: short stacking energy: -628.746 Base-Backbone interact. energy: -0.486 local terms energy: -716.843020 where: bonds (distance) C4'-P energy: -146.337 bonds (distance) P-C4' energy: -126.864 flat angles C4'-P-C4' energy: -153.078 flat angles P-C4'-P energy: -104.843 tors. eta vs tors. theta energy: -185.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1991.870208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.870208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.870208 (E_RNA) where: Base-Base interactions energy: -1306.604 where: short stacking energy: -585.920 Base-Backbone interact. energy: -0.843 local terms energy: -684.423289 where: bonds (distance) C4'-P energy: -129.859 bonds (distance) P-C4' energy: -138.104 flat angles C4'-P-C4' energy: -138.766 flat angles P-C4'-P energy: -97.590 tors. eta vs tors. theta energy: -180.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1840.333949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.333949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.333949 (E_RNA) where: Base-Base interactions energy: -1227.659 where: short stacking energy: -522.934 Base-Backbone interact. energy: 0.143 local terms energy: -612.818626 where: bonds (distance) C4'-P energy: -121.183 bonds (distance) P-C4' energy: -135.065 flat angles C4'-P-C4' energy: -128.998 flat angles P-C4'-P energy: -73.573 tors. eta vs tors. theta energy: -154.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1407.327032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.327032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.327032 (E_RNA) where: Base-Base interactions energy: -925.808 where: short stacking energy: -392.157 Base-Backbone interact. energy: 2.439 local terms energy: -483.957438 where: bonds (distance) C4'-P energy: -117.905 bonds (distance) P-C4' energy: -141.028 flat angles C4'-P-C4' energy: -101.889 flat angles P-C4'-P energy: -67.121 tors. eta vs tors. theta energy: -56.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -805.027947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.027947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.027947 (E_RNA) where: Base-Base interactions energy: -373.534 where: short stacking energy: -214.506 Base-Backbone interact. energy: -0.067 local terms energy: -431.426871 where: bonds (distance) C4'-P energy: -143.314 bonds (distance) P-C4' energy: -119.597 flat angles C4'-P-C4' energy: -103.558 flat angles P-C4'-P energy: -68.232 tors. eta vs tors. theta energy: 3.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -768.152250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.152250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.152250 (E_RNA) where: Base-Base interactions energy: -353.493 where: short stacking energy: -205.972 Base-Backbone interact. energy: -0.957 local terms energy: -413.702328 where: bonds (distance) C4'-P energy: -109.561 bonds (distance) P-C4' energy: -132.008 flat angles C4'-P-C4' energy: -115.936 flat angles P-C4'-P energy: -72.864 tors. eta vs tors. theta energy: 16.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2645.101658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.101658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.101658 (E_RNA) where: Base-Base interactions energy: -1849.385 where: short stacking energy: -782.128 Base-Backbone interact. energy: 0.597 local terms energy: -796.312974 where: bonds (distance) C4'-P energy: -128.880 bonds (distance) P-C4' energy: -158.291 flat angles C4'-P-C4' energy: -163.492 flat angles P-C4'-P energy: -107.138 tors. eta vs tors. theta energy: -238.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2515.026942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.026942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.026942 (E_RNA) where: Base-Base interactions energy: -1720.016 where: short stacking energy: -743.659 Base-Backbone interact. energy: -4.370 local terms energy: -790.641141 where: bonds (distance) C4'-P energy: -140.375 bonds (distance) P-C4' energy: -150.186 flat angles C4'-P-C4' energy: -165.630 flat angles P-C4'-P energy: -107.479 tors. eta vs tors. theta energy: -226.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2464.611598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.611598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.611598 (E_RNA) where: Base-Base interactions energy: -1730.646 where: short stacking energy: -711.453 Base-Backbone interact. energy: 0.792 local terms energy: -734.758098 where: bonds (distance) C4'-P energy: -139.006 bonds (distance) P-C4' energy: -135.212 flat angles C4'-P-C4' energy: -158.303 flat angles P-C4'-P energy: -102.336 tors. eta vs tors. theta energy: -199.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2272.947878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.947878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.947878 (E_RNA) where: Base-Base interactions energy: -1544.547 where: short stacking energy: -651.722 Base-Backbone interact. energy: 3.236 local terms energy: -731.637231 where: bonds (distance) C4'-P energy: -146.792 bonds (distance) P-C4' energy: -135.574 flat angles C4'-P-C4' energy: -165.468 flat angles P-C4'-P energy: -107.075 tors. eta vs tors. theta energy: -176.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2199.835116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.835116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.835116 (E_RNA) where: Base-Base interactions energy: -1507.070 where: short stacking energy: -652.131 Base-Backbone interact. energy: -0.071 local terms energy: -692.693169 where: bonds (distance) C4'-P energy: -123.348 bonds (distance) P-C4' energy: -128.841 flat angles C4'-P-C4' energy: -138.027 flat angles P-C4'-P energy: -110.621 tors. eta vs tors. theta energy: -191.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1977.866089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.866089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.866089 (E_RNA) where: Base-Base interactions energy: -1338.150 where: short stacking energy: -575.830 Base-Backbone interact. energy: -2.997 local terms energy: -636.718651 where: bonds (distance) C4'-P energy: -123.246 bonds (distance) P-C4' energy: -129.056 flat angles C4'-P-C4' energy: -145.762 flat angles P-C4'-P energy: -71.241 tors. eta vs tors. theta energy: -167.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1836.583356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.583356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.583356 (E_RNA) where: Base-Base interactions energy: -1229.894 where: short stacking energy: -523.134 Base-Backbone interact. energy: -4.151 local terms energy: -602.538263 where: bonds (distance) C4'-P energy: -108.280 bonds (distance) P-C4' energy: -135.519 flat angles C4'-P-C4' energy: -136.249 flat angles P-C4'-P energy: -88.596 tors. eta vs tors. theta energy: -133.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1413.584370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.584370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.584370 (E_RNA) where: Base-Base interactions energy: -883.937 where: short stacking energy: -395.415 Base-Backbone interact. energy: 1.123 local terms energy: -530.770492 where: bonds (distance) C4'-P energy: -131.462 bonds (distance) P-C4' energy: -120.110 flat angles C4'-P-C4' energy: -122.061 flat angles P-C4'-P energy: -72.137 tors. eta vs tors. theta energy: -85.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -806.112778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.112778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.112778 (E_RNA) where: Base-Base interactions energy: -367.736 where: short stacking energy: -215.554 Base-Backbone interact. energy: -1.051 local terms energy: -437.325810 where: bonds (distance) C4'-P energy: -125.972 bonds (distance) P-C4' energy: -123.604 flat angles C4'-P-C4' energy: -121.945 flat angles P-C4'-P energy: -61.147 tors. eta vs tors. theta energy: -4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -697.733159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.733159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.733159 (E_RNA) where: Base-Base interactions energy: -320.984 where: short stacking energy: -168.416 Base-Backbone interact. energy: 9.909 local terms energy: -386.658188 where: bonds (distance) C4'-P energy: -111.734 bonds (distance) P-C4' energy: -139.839 flat angles C4'-P-C4' energy: -88.635 flat angles P-C4'-P energy: -71.248 tors. eta vs tors. theta energy: 24.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2678.862008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.862008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.862008 (E_RNA) where: Base-Base interactions energy: -1855.708 where: short stacking energy: -776.254 Base-Backbone interact. energy: -6.173 local terms energy: -816.980456 where: bonds (distance) C4'-P energy: -143.394 bonds (distance) P-C4' energy: -153.421 flat angles C4'-P-C4' energy: -168.567 flat angles P-C4'-P energy: -118.244 tors. eta vs tors. theta energy: -233.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2535.431496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.431496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.431496 (E_RNA) where: Base-Base interactions energy: -1721.227 where: short stacking energy: -768.919 Base-Backbone interact. energy: 1.615 local terms energy: -815.819409 where: bonds (distance) C4'-P energy: -150.267 bonds (distance) P-C4' energy: -146.038 flat angles C4'-P-C4' energy: -175.412 flat angles P-C4'-P energy: -117.144 tors. eta vs tors. theta energy: -226.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2493.750071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.750071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.750071 (E_RNA) where: Base-Base interactions energy: -1729.192 where: short stacking energy: -711.133 Base-Backbone interact. energy: -0.827 local terms energy: -763.731414 where: bonds (distance) C4'-P energy: -130.358 bonds (distance) P-C4' energy: -145.088 flat angles C4'-P-C4' energy: -158.244 flat angles P-C4'-P energy: -114.325 tors. eta vs tors. theta energy: -215.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2276.160188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.160188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.160188 (E_RNA) where: Base-Base interactions energy: -1528.633 where: short stacking energy: -673.245 Base-Backbone interact. energy: 2.027 local terms energy: -749.553786 where: bonds (distance) C4'-P energy: -144.873 bonds (distance) P-C4' energy: -123.435 flat angles C4'-P-C4' energy: -167.316 flat angles P-C4'-P energy: -101.755 tors. eta vs tors. theta energy: -212.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2159.506747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.506747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.506747 (E_RNA) where: Base-Base interactions energy: -1469.819 where: short stacking energy: -628.259 Base-Backbone interact. energy: 0.950 local terms energy: -690.637003 where: bonds (distance) C4'-P energy: -126.516 bonds (distance) P-C4' energy: -135.681 flat angles C4'-P-C4' energy: -149.719 flat angles P-C4'-P energy: -103.176 tors. eta vs tors. theta energy: -175.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1970.686871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.686871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.686871 (E_RNA) where: Base-Base interactions energy: -1339.115 where: short stacking energy: -571.587 Base-Backbone interact. energy: -1.465 local terms energy: -630.106326 where: bonds (distance) C4'-P energy: -123.154 bonds (distance) P-C4' energy: -137.489 flat angles C4'-P-C4' energy: -149.138 flat angles P-C4'-P energy: -72.282 tors. eta vs tors. theta energy: -148.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1868.620043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.620043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.620043 (E_RNA) where: Base-Base interactions energy: -1263.888 where: short stacking energy: -534.312 Base-Backbone interact. energy: 0.329 local terms energy: -605.060120 where: bonds (distance) C4'-P energy: -106.999 bonds (distance) P-C4' energy: -138.287 flat angles C4'-P-C4' energy: -147.952 flat angles P-C4'-P energy: -79.055 tors. eta vs tors. theta energy: -132.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1399.148526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.148526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.148526 (E_RNA) where: Base-Base interactions energy: -875.677 where: short stacking energy: -388.935 Base-Backbone interact. energy: 3.996 local terms energy: -527.467502 where: bonds (distance) C4'-P energy: -117.522 bonds (distance) P-C4' energy: -133.791 flat angles C4'-P-C4' energy: -140.495 flat angles P-C4'-P energy: -66.749 tors. eta vs tors. theta energy: -68.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -826.192503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.192503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.192503 (E_RNA) where: Base-Base interactions energy: -408.870 where: short stacking energy: -230.528 Base-Backbone interact. energy: -1.820 local terms energy: -415.502104 where: bonds (distance) C4'-P energy: -123.684 bonds (distance) P-C4' energy: -125.346 flat angles C4'-P-C4' energy: -104.538 flat angles P-C4'-P energy: -63.746 tors. eta vs tors. theta energy: 1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -629.936188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.936188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.936188 (E_RNA) where: Base-Base interactions energy: -264.918 where: short stacking energy: -157.378 Base-Backbone interact. energy: 4.361 local terms energy: -369.379450 where: bonds (distance) C4'-P energy: -116.469 bonds (distance) P-C4' energy: -132.770 flat angles C4'-P-C4' energy: -80.329 flat angles P-C4'-P energy: -56.563 tors. eta vs tors. theta energy: 16.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2664.032079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.032079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.032079 (E_RNA) where: Base-Base interactions energy: -1833.915 where: short stacking energy: -759.696 Base-Backbone interact. energy: -1.631 local terms energy: -828.486031 where: bonds (distance) C4'-P energy: -150.090 bonds (distance) P-C4' energy: -143.366 flat angles C4'-P-C4' energy: -172.778 flat angles P-C4'-P energy: -121.635 tors. eta vs tors. theta energy: -240.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2524.440036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.440036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.440036 (E_RNA) where: Base-Base interactions energy: -1737.820 where: short stacking energy: -752.957 Base-Backbone interact. energy: 0.772 local terms energy: -787.391369 where: bonds (distance) C4'-P energy: -139.421 bonds (distance) P-C4' energy: -141.613 flat angles C4'-P-C4' energy: -171.251 flat angles P-C4'-P energy: -118.091 tors. eta vs tors. theta energy: -217.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2488.686710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.686710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.686710 (E_RNA) where: Base-Base interactions energy: -1726.086 where: short stacking energy: -717.062 Base-Backbone interact. energy: 5.422 local terms energy: -768.022435 where: bonds (distance) C4'-P energy: -136.299 bonds (distance) P-C4' energy: -158.847 flat angles C4'-P-C4' energy: -159.342 flat angles P-C4'-P energy: -105.604 tors. eta vs tors. theta energy: -207.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2337.955005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.955005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.955005 (E_RNA) where: Base-Base interactions energy: -1602.156 where: short stacking energy: -706.526 Base-Backbone interact. energy: -1.611 local terms energy: -734.187711 where: bonds (distance) C4'-P energy: -144.529 bonds (distance) P-C4' energy: -141.241 flat angles C4'-P-C4' energy: -151.553 flat angles P-C4'-P energy: -97.806 tors. eta vs tors. theta energy: -199.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2173.439610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.439610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.439610 (E_RNA) where: Base-Base interactions energy: -1496.393 where: short stacking energy: -648.830 Base-Backbone interact. energy: -4.420 local terms energy: -672.627364 where: bonds (distance) C4'-P energy: -122.757 bonds (distance) P-C4' energy: -121.587 flat angles C4'-P-C4' energy: -143.995 flat angles P-C4'-P energy: -99.737 tors. eta vs tors. theta energy: -184.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1998.947319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.947319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.947319 (E_RNA) where: Base-Base interactions energy: -1310.269 where: short stacking energy: -557.217 Base-Backbone interact. energy: -0.556 local terms energy: -688.122646 where: bonds (distance) C4'-P energy: -122.930 bonds (distance) P-C4' energy: -144.490 flat angles C4'-P-C4' energy: -149.124 flat angles P-C4'-P energy: -102.377 tors. eta vs tors. theta energy: -169.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1886.195542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.195542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.195542 (E_RNA) where: Base-Base interactions energy: -1283.194 where: short stacking energy: -560.576 Base-Backbone interact. energy: -4.005 local terms energy: -598.996471 where: bonds (distance) C4'-P energy: -114.050 bonds (distance) P-C4' energy: -131.868 flat angles C4'-P-C4' energy: -122.934 flat angles P-C4'-P energy: -83.565 tors. eta vs tors. theta energy: -146.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1311.468017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.468017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.468017 (E_RNA) where: Base-Base interactions energy: -792.290 where: short stacking energy: -367.417 Base-Backbone interact. energy: 1.862 local terms energy: -521.040845 where: bonds (distance) C4'-P energy: -121.734 bonds (distance) P-C4' energy: -127.885 flat angles C4'-P-C4' energy: -121.193 flat angles P-C4'-P energy: -77.677 tors. eta vs tors. theta energy: -72.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -839.636080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.636080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.636080 (E_RNA) where: Base-Base interactions energy: -420.524 where: short stacking energy: -258.616 Base-Backbone interact. energy: 1.508 local terms energy: -420.619952 where: bonds (distance) C4'-P energy: -122.273 bonds (distance) P-C4' energy: -109.440 flat angles C4'-P-C4' energy: -101.516 flat angles P-C4'-P energy: -71.680 tors. eta vs tors. theta energy: -15.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -630.875413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.875413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.875413 (E_RNA) where: Base-Base interactions energy: -264.280 where: short stacking energy: -186.271 Base-Backbone interact. energy: -1.344 local terms energy: -365.251844 where: bonds (distance) C4'-P energy: -112.551 bonds (distance) P-C4' energy: -112.350 flat angles C4'-P-C4' energy: -82.642 flat angles P-C4'-P energy: -79.318 tors. eta vs tors. theta energy: 21.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2662.819347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.819347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.819347 (E_RNA) where: Base-Base interactions energy: -1860.287 where: short stacking energy: -767.137 Base-Backbone interact. energy: -1.067 local terms energy: -801.464953 where: bonds (distance) C4'-P energy: -153.096 bonds (distance) P-C4' energy: -155.607 flat angles C4'-P-C4' energy: -156.689 flat angles P-C4'-P energy: -100.731 tors. eta vs tors. theta energy: -235.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2553.765150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.765150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.765150 (E_RNA) where: Base-Base interactions energy: -1745.508 where: short stacking energy: -758.488 Base-Backbone interact. energy: -3.538 local terms energy: -804.718504 where: bonds (distance) C4'-P energy: -147.601 bonds (distance) P-C4' energy: -154.048 flat angles C4'-P-C4' energy: -166.521 flat angles P-C4'-P energy: -109.089 tors. eta vs tors. theta energy: -227.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2439.924217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.924217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.924217 (E_RNA) where: Base-Base interactions energy: -1706.852 where: short stacking energy: -699.948 Base-Backbone interact. energy: -2.456 local terms energy: -730.616124 where: bonds (distance) C4'-P energy: -137.321 bonds (distance) P-C4' energy: -149.438 flat angles C4'-P-C4' energy: -142.449 flat angles P-C4'-P energy: -98.836 tors. eta vs tors. theta energy: -202.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2359.253145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.253145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.253145 (E_RNA) where: Base-Base interactions energy: -1596.398 where: short stacking energy: -681.498 Base-Backbone interact. energy: -4.195 local terms energy: -758.660755 where: bonds (distance) C4'-P energy: -144.709 bonds (distance) P-C4' energy: -141.334 flat angles C4'-P-C4' energy: -160.829 flat angles P-C4'-P energy: -109.792 tors. eta vs tors. theta energy: -201.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2127.556776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.556776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.556776 (E_RNA) where: Base-Base interactions energy: -1415.947 where: short stacking energy: -602.976 Base-Backbone interact. energy: 0.911 local terms energy: -712.520293 where: bonds (distance) C4'-P energy: -143.959 bonds (distance) P-C4' energy: -134.612 flat angles C4'-P-C4' energy: -152.227 flat angles P-C4'-P energy: -102.513 tors. eta vs tors. theta energy: -179.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1991.273328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.273328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.273328 (E_RNA) where: Base-Base interactions energy: -1316.435 where: short stacking energy: -574.655 Base-Backbone interact. energy: -2.638 local terms energy: -672.200231 where: bonds (distance) C4'-P energy: -119.544 bonds (distance) P-C4' energy: -137.012 flat angles C4'-P-C4' energy: -147.900 flat angles P-C4'-P energy: -95.127 tors. eta vs tors. theta energy: -172.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1837.960840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.960840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.960840 (E_RNA) where: Base-Base interactions energy: -1253.538 where: short stacking energy: -554.293 Base-Backbone interact. energy: -1.965 local terms energy: -582.457902 where: bonds (distance) C4'-P energy: -113.346 bonds (distance) P-C4' energy: -121.751 flat angles C4'-P-C4' energy: -133.114 flat angles P-C4'-P energy: -82.129 tors. eta vs tors. theta energy: -132.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1329.079780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.079780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.079780 (E_RNA) where: Base-Base interactions energy: -806.244 where: short stacking energy: -368.301 Base-Backbone interact. energy: -0.463 local terms energy: -522.372907 where: bonds (distance) C4'-P energy: -130.297 bonds (distance) P-C4' energy: -121.283 flat angles C4'-P-C4' energy: -123.248 flat angles P-C4'-P energy: -89.105 tors. eta vs tors. theta energy: -58.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -893.476185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.476185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.476185 (E_RNA) where: Base-Base interactions energy: -435.346 where: short stacking energy: -241.186 Base-Backbone interact. energy: -1.468 local terms energy: -456.662192 where: bonds (distance) C4'-P energy: -119.160 bonds (distance) P-C4' energy: -136.700 flat angles C4'-P-C4' energy: -113.659 flat angles P-C4'-P energy: -81.718 tors. eta vs tors. theta energy: -5.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -621.939933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.939933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.939933 (E_RNA) where: Base-Base interactions energy: -237.584 where: short stacking energy: -144.116 Base-Backbone interact. energy: -2.421 local terms energy: -381.935228 where: bonds (distance) C4'-P energy: -102.885 bonds (distance) P-C4' energy: -149.359 flat angles C4'-P-C4' energy: -116.499 flat angles P-C4'-P energy: -45.061 tors. eta vs tors. theta energy: 31.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2647.980919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.980919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.980919 (E_RNA) where: Base-Base interactions energy: -1823.994 where: short stacking energy: -777.904 Base-Backbone interact. energy: -2.276 local terms energy: -821.711554 where: bonds (distance) C4'-P energy: -142.854 bonds (distance) P-C4' energy: -154.837 flat angles C4'-P-C4' energy: -176.766 flat angles P-C4'-P energy: -114.672 tors. eta vs tors. theta energy: -232.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2536.458264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.458264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.458264 (E_RNA) where: Base-Base interactions energy: -1758.878 where: short stacking energy: -765.696 Base-Backbone interact. energy: -5.661 local terms energy: -771.919202 where: bonds (distance) C4'-P energy: -145.165 bonds (distance) P-C4' energy: -129.810 flat angles C4'-P-C4' energy: -161.978 flat angles P-C4'-P energy: -104.552 tors. eta vs tors. theta energy: -230.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2468.038151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.038151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.038151 (E_RNA) where: Base-Base interactions energy: -1713.137 where: short stacking energy: -721.497 Base-Backbone interact. energy: -5.424 local terms energy: -749.477363 where: bonds (distance) C4'-P energy: -138.411 bonds (distance) P-C4' energy: -136.219 flat angles C4'-P-C4' energy: -159.534 flat angles P-C4'-P energy: -112.079 tors. eta vs tors. theta energy: -203.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2349.041745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.041745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.041745 (E_RNA) where: Base-Base interactions energy: -1650.908 where: short stacking energy: -676.745 Base-Backbone interact. energy: 1.127 local terms energy: -699.261544 where: bonds (distance) C4'-P energy: -131.341 bonds (distance) P-C4' energy: -139.029 flat angles C4'-P-C4' energy: -151.539 flat angles P-C4'-P energy: -85.839 tors. eta vs tors. theta energy: -191.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2094.653076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.653076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.653076 (E_RNA) where: Base-Base interactions energy: -1401.792 where: short stacking energy: -600.513 Base-Backbone interact. energy: 2.664 local terms energy: -695.525445 where: bonds (distance) C4'-P energy: -137.006 bonds (distance) P-C4' energy: -129.139 flat angles C4'-P-C4' energy: -161.350 flat angles P-C4'-P energy: -100.852 tors. eta vs tors. theta energy: -167.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1968.479176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.479176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.479176 (E_RNA) where: Base-Base interactions energy: -1277.645 where: short stacking energy: -565.504 Base-Backbone interact. energy: 0.300 local terms energy: -691.133607 where: bonds (distance) C4'-P energy: -133.122 bonds (distance) P-C4' energy: -138.679 flat angles C4'-P-C4' energy: -156.056 flat angles P-C4'-P energy: -89.061 tors. eta vs tors. theta energy: -174.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1779.850306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.850306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.850306 (E_RNA) where: Base-Base interactions energy: -1206.573 where: short stacking energy: -519.552 Base-Backbone interact. energy: 0.781 local terms energy: -574.058122 where: bonds (distance) C4'-P energy: -124.559 bonds (distance) P-C4' energy: -126.370 flat angles C4'-P-C4' energy: -129.553 flat angles P-C4'-P energy: -60.135 tors. eta vs tors. theta energy: -133.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1330.330118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.330118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.330118 (E_RNA) where: Base-Base interactions energy: -792.877 where: short stacking energy: -407.021 Base-Backbone interact. energy: -1.258 local terms energy: -536.195030 where: bonds (distance) C4'-P energy: -112.122 bonds (distance) P-C4' energy: -140.962 flat angles C4'-P-C4' energy: -134.262 flat angles P-C4'-P energy: -73.211 tors. eta vs tors. theta energy: -75.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -899.475216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.475216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.475216 (E_RNA) where: Base-Base interactions energy: -485.950 where: short stacking energy: -267.592 Base-Backbone interact. energy: 0.514 local terms energy: -414.039158 where: bonds (distance) C4'-P energy: -127.924 bonds (distance) P-C4' energy: -131.714 flat angles C4'-P-C4' energy: -92.393 flat angles P-C4'-P energy: -55.055 tors. eta vs tors. theta energy: -6.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -619.894693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.894693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.894693 (E_RNA) where: Base-Base interactions energy: -244.406 where: short stacking energy: -168.726 Base-Backbone interact. energy: -3.307 local terms energy: -372.182081 where: bonds (distance) C4'-P energy: -117.828 bonds (distance) P-C4' energy: -115.371 flat angles C4'-P-C4' energy: -117.761 flat angles P-C4'-P energy: -43.938 tors. eta vs tors. theta energy: 22.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2655.134122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.134122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.134122 (E_RNA) where: Base-Base interactions energy: -1855.551 where: short stacking energy: -765.642 Base-Backbone interact. energy: -1.697 local terms energy: -797.886031 where: bonds (distance) C4'-P energy: -144.793 bonds (distance) P-C4' energy: -149.850 flat angles C4'-P-C4' energy: -162.545 flat angles P-C4'-P energy: -109.957 tors. eta vs tors. theta energy: -230.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2502.499318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.499318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.499318 (E_RNA) where: Base-Base interactions energy: -1722.993 where: short stacking energy: -748.627 Base-Backbone interact. energy: -4.409 local terms energy: -775.097005 where: bonds (distance) C4'-P energy: -143.891 bonds (distance) P-C4' energy: -143.366 flat angles C4'-P-C4' energy: -162.753 flat angles P-C4'-P energy: -114.458 tors. eta vs tors. theta energy: -210.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2456.195708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.195708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.195708 (E_RNA) where: Base-Base interactions energy: -1727.654 where: short stacking energy: -741.878 Base-Backbone interact. energy: -1.661 local terms energy: -726.880918 where: bonds (distance) C4'-P energy: -124.906 bonds (distance) P-C4' energy: -127.372 flat angles C4'-P-C4' energy: -163.414 flat angles P-C4'-P energy: -104.821 tors. eta vs tors. theta energy: -206.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2307.123436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.123436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.123436 (E_RNA) where: Base-Base interactions energy: -1604.225 where: short stacking energy: -685.603 Base-Backbone interact. energy: 1.434 local terms energy: -704.332240 where: bonds (distance) C4'-P energy: -126.686 bonds (distance) P-C4' energy: -140.853 flat angles C4'-P-C4' energy: -158.621 flat angles P-C4'-P energy: -95.470 tors. eta vs tors. theta energy: -182.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2108.709558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.709558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.709558 (E_RNA) where: Base-Base interactions energy: -1425.208 where: short stacking energy: -623.164 Base-Backbone interact. energy: -3.058 local terms energy: -680.443864 where: bonds (distance) C4'-P energy: -126.456 bonds (distance) P-C4' energy: -129.415 flat angles C4'-P-C4' energy: -149.066 flat angles P-C4'-P energy: -97.156 tors. eta vs tors. theta energy: -178.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1956.801783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.801783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.801783 (E_RNA) where: Base-Base interactions energy: -1297.872 where: short stacking energy: -559.468 Base-Backbone interact. energy: -2.026 local terms energy: -656.904162 where: bonds (distance) C4'-P energy: -115.756 bonds (distance) P-C4' energy: -148.026 flat angles C4'-P-C4' energy: -140.360 flat angles P-C4'-P energy: -105.950 tors. eta vs tors. theta energy: -146.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1781.469152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.469152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.469152 (E_RNA) where: Base-Base interactions energy: -1163.030 where: short stacking energy: -537.426 Base-Backbone interact. energy: -0.629 local terms energy: -617.810143 where: bonds (distance) C4'-P energy: -118.832 bonds (distance) P-C4' energy: -126.171 flat angles C4'-P-C4' energy: -136.733 flat angles P-C4'-P energy: -85.406 tors. eta vs tors. theta energy: -150.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1316.063643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.063643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.063643 (E_RNA) where: Base-Base interactions energy: -815.894 where: short stacking energy: -378.362 Base-Backbone interact. energy: 4.144 local terms energy: -504.313659 where: bonds (distance) C4'-P energy: -122.567 bonds (distance) P-C4' energy: -115.456 flat angles C4'-P-C4' energy: -118.428 flat angles P-C4'-P energy: -73.885 tors. eta vs tors. theta energy: -73.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1004.630865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.630865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.630865 (E_RNA) where: Base-Base interactions energy: -540.993 where: short stacking energy: -263.629 Base-Backbone interact. energy: 1.159 local terms energy: -464.797164 where: bonds (distance) C4'-P energy: -108.166 bonds (distance) P-C4' energy: -128.790 flat angles C4'-P-C4' energy: -116.710 flat angles P-C4'-P energy: -73.819 tors. eta vs tors. theta energy: -37.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -632.030417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.030417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.030417 (E_RNA) where: Base-Base interactions energy: -254.009 where: short stacking energy: -159.060 Base-Backbone interact. energy: -1.427 local terms energy: -376.593457 where: bonds (distance) C4'-P energy: -106.594 bonds (distance) P-C4' energy: -135.919 flat angles C4'-P-C4' energy: -113.099 flat angles P-C4'-P energy: -56.696 tors. eta vs tors. theta energy: 35.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2662.243839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.243839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.243839 (E_RNA) where: Base-Base interactions energy: -1834.815 where: short stacking energy: -740.927 Base-Backbone interact. energy: 0.496 local terms energy: -827.925785 where: bonds (distance) C4'-P energy: -162.597 bonds (distance) P-C4' energy: -170.320 flat angles C4'-P-C4' energy: -170.063 flat angles P-C4'-P energy: -96.031 tors. eta vs tors. theta energy: -228.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2496.369631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.369631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.369631 (E_RNA) where: Base-Base interactions energy: -1729.423 where: short stacking energy: -748.903 Base-Backbone interact. energy: -2.816 local terms energy: -764.130438 where: bonds (distance) C4'-P energy: -124.797 bonds (distance) P-C4' energy: -143.460 flat angles C4'-P-C4' energy: -170.874 flat angles P-C4'-P energy: -109.833 tors. eta vs tors. theta energy: -215.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2442.981480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.981480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.981480 (E_RNA) where: Base-Base interactions energy: -1675.976 where: short stacking energy: -686.740 Base-Backbone interact. energy: -0.267 local terms energy: -766.739120 where: bonds (distance) C4'-P energy: -144.621 bonds (distance) P-C4' energy: -147.434 flat angles C4'-P-C4' energy: -156.797 flat angles P-C4'-P energy: -117.951 tors. eta vs tors. theta energy: -199.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2334.759034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.759034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.759034 (E_RNA) where: Base-Base interactions energy: -1593.942 where: short stacking energy: -676.664 Base-Backbone interact. energy: -0.028 local terms energy: -740.788396 where: bonds (distance) C4'-P energy: -145.307 bonds (distance) P-C4' energy: -143.785 flat angles C4'-P-C4' energy: -150.428 flat angles P-C4'-P energy: -94.131 tors. eta vs tors. theta energy: -207.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2085.580856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.580856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.580856 (E_RNA) where: Base-Base interactions energy: -1401.363 where: short stacking energy: -576.312 Base-Backbone interact. energy: -2.083 local terms energy: -682.134816 where: bonds (distance) C4'-P energy: -139.618 bonds (distance) P-C4' energy: -139.948 flat angles C4'-P-C4' energy: -146.669 flat angles P-C4'-P energy: -94.763 tors. eta vs tors. theta energy: -161.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1941.962276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.962276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.962276 (E_RNA) where: Base-Base interactions energy: -1284.373 where: short stacking energy: -557.489 Base-Backbone interact. energy: -1.258 local terms energy: -656.331535 where: bonds (distance) C4'-P energy: -118.036 bonds (distance) P-C4' energy: -142.745 flat angles C4'-P-C4' energy: -155.246 flat angles P-C4'-P energy: -90.135 tors. eta vs tors. theta energy: -150.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1774.124558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.124558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.124558 (E_RNA) where: Base-Base interactions energy: -1205.892 where: short stacking energy: -522.452 Base-Backbone interact. energy: -2.993 local terms energy: -565.239601 where: bonds (distance) C4'-P energy: -104.392 bonds (distance) P-C4' energy: -119.048 flat angles C4'-P-C4' energy: -145.453 flat angles P-C4'-P energy: -70.914 tors. eta vs tors. theta energy: -125.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1330.964786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.964786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.964786 (E_RNA) where: Base-Base interactions energy: -833.348 where: short stacking energy: -382.416 Base-Backbone interact. energy: -1.343 local terms energy: -496.273753 where: bonds (distance) C4'-P energy: -108.506 bonds (distance) P-C4' energy: -108.548 flat angles C4'-P-C4' energy: -127.333 flat angles P-C4'-P energy: -86.795 tors. eta vs tors. theta energy: -65.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -915.721084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.721084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.721084 (E_RNA) where: Base-Base interactions energy: -479.177 where: short stacking energy: -239.936 Base-Backbone interact. energy: -0.698 local terms energy: -435.846356 where: bonds (distance) C4'-P energy: -116.682 bonds (distance) P-C4' energy: -139.559 flat angles C4'-P-C4' energy: -106.330 flat angles P-C4'-P energy: -65.812 tors. eta vs tors. theta energy: -7.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -645.700512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.700512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.700512 (E_RNA) where: Base-Base interactions energy: -268.564 where: short stacking energy: -195.052 Base-Backbone interact. energy: 5.442 local terms energy: -382.578195 where: bonds (distance) C4'-P energy: -116.775 bonds (distance) P-C4' energy: -126.585 flat angles C4'-P-C4' energy: -121.324 flat angles P-C4'-P energy: -41.753 tors. eta vs tors. theta energy: 23.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2688.536756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.536756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.536756 (E_RNA) where: Base-Base interactions energy: -1859.482 where: short stacking energy: -788.879 Base-Backbone interact. energy: 1.454 local terms energy: -830.508188 where: bonds (distance) C4'-P energy: -146.596 bonds (distance) P-C4' energy: -152.575 flat angles C4'-P-C4' energy: -186.556 flat angles P-C4'-P energy: -111.415 tors. eta vs tors. theta energy: -233.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2521.401695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.401695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.401695 (E_RNA) where: Base-Base interactions energy: -1690.969 where: short stacking energy: -759.074 Base-Backbone interact. energy: -4.357 local terms energy: -826.075867 where: bonds (distance) C4'-P energy: -150.823 bonds (distance) P-C4' energy: -156.920 flat angles C4'-P-C4' energy: -170.243 flat angles P-C4'-P energy: -110.819 tors. eta vs tors. theta energy: -237.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2437.142960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.142960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.142960 (E_RNA) where: Base-Base interactions energy: -1703.873 where: short stacking energy: -723.534 Base-Backbone interact. energy: 4.289 local terms energy: -737.559088 where: bonds (distance) C4'-P energy: -129.490 bonds (distance) P-C4' energy: -130.941 flat angles C4'-P-C4' energy: -158.687 flat angles P-C4'-P energy: -110.770 tors. eta vs tors. theta energy: -207.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2363.939602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.939602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.939602 (E_RNA) where: Base-Base interactions energy: -1627.501 where: short stacking energy: -705.026 Base-Backbone interact. energy: -3.241 local terms energy: -733.197462 where: bonds (distance) C4'-P energy: -131.170 bonds (distance) P-C4' energy: -132.277 flat angles C4'-P-C4' energy: -159.040 flat angles P-C4'-P energy: -102.684 tors. eta vs tors. theta energy: -208.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2141.563722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.563722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.563722 (E_RNA) where: Base-Base interactions energy: -1455.587 where: short stacking energy: -592.146 Base-Backbone interact. energy: -1.810 local terms energy: -684.167054 where: bonds (distance) C4'-P energy: -136.135 bonds (distance) P-C4' energy: -131.742 flat angles C4'-P-C4' energy: -155.578 flat angles P-C4'-P energy: -94.357 tors. eta vs tors. theta energy: -166.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1963.019872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.019872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.019872 (E_RNA) where: Base-Base interactions energy: -1310.348 where: short stacking energy: -602.864 Base-Backbone interact. energy: 1.553 local terms energy: -654.225369 where: bonds (distance) C4'-P energy: -127.369 bonds (distance) P-C4' energy: -129.866 flat angles C4'-P-C4' energy: -144.813 flat angles P-C4'-P energy: -88.498 tors. eta vs tors. theta energy: -163.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1801.012851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.012851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.012851 (E_RNA) where: Base-Base interactions energy: -1211.878 where: short stacking energy: -534.283 Base-Backbone interact. energy: 1.417 local terms energy: -590.551733 where: bonds (distance) C4'-P energy: -100.719 bonds (distance) P-C4' energy: -120.813 flat angles C4'-P-C4' energy: -143.583 flat angles P-C4'-P energy: -90.531 tors. eta vs tors. theta energy: -134.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1451.120685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.120685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.120685 (E_RNA) where: Base-Base interactions energy: -932.958 where: short stacking energy: -421.683 Base-Backbone interact. energy: -0.502 local terms energy: -517.660522 where: bonds (distance) C4'-P energy: -115.775 bonds (distance) P-C4' energy: -125.931 flat angles C4'-P-C4' energy: -130.068 flat angles P-C4'-P energy: -73.275 tors. eta vs tors. theta energy: -72.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -944.825458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.825458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.825458 (E_RNA) where: Base-Base interactions energy: -536.962 where: short stacking energy: -262.110 Base-Backbone interact. energy: -1.259 local terms energy: -406.603923 where: bonds (distance) C4'-P energy: -110.899 bonds (distance) P-C4' energy: -122.373 flat angles C4'-P-C4' energy: -92.561 flat angles P-C4'-P energy: -70.315 tors. eta vs tors. theta energy: -10.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -646.438676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.438676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.438676 (E_RNA) where: Base-Base interactions energy: -309.901 where: short stacking energy: -202.698 Base-Backbone interact. energy: 4.359 local terms energy: -340.896031 where: bonds (distance) C4'-P energy: -91.842 bonds (distance) P-C4' energy: -132.441 flat angles C4'-P-C4' energy: -101.331 flat angles P-C4'-P energy: -36.879 tors. eta vs tors. theta energy: 21.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2668.122604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.122604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.122604 (E_RNA) where: Base-Base interactions energy: -1850.532 where: short stacking energy: -801.694 Base-Backbone interact. energy: -3.383 local terms energy: -814.207691 where: bonds (distance) C4'-P energy: -148.136 bonds (distance) P-C4' energy: -151.854 flat angles C4'-P-C4' energy: -175.428 flat angles P-C4'-P energy: -95.267 tors. eta vs tors. theta energy: -243.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2499.166044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.166044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.166044 (E_RNA) where: Base-Base interactions energy: -1698.747 where: short stacking energy: -763.942 Base-Backbone interact. energy: -2.437 local terms energy: -797.982757 where: bonds (distance) C4'-P energy: -141.212 bonds (distance) P-C4' energy: -152.317 flat angles C4'-P-C4' energy: -170.960 flat angles P-C4'-P energy: -114.367 tors. eta vs tors. theta energy: -219.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2481.012748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.012748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.012748 (E_RNA) where: Base-Base interactions energy: -1719.520 where: short stacking energy: -743.059 Base-Backbone interact. energy: 2.790 local terms energy: -764.282247 where: bonds (distance) C4'-P energy: -138.152 bonds (distance) P-C4' energy: -137.469 flat angles C4'-P-C4' energy: -175.915 flat angles P-C4'-P energy: -94.505 tors. eta vs tors. theta energy: -218.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2364.577787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.577787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.577787 (E_RNA) where: Base-Base interactions energy: -1643.108 where: short stacking energy: -695.873 Base-Backbone interact. energy: -1.998 local terms energy: -719.471960 where: bonds (distance) C4'-P energy: -133.660 bonds (distance) P-C4' energy: -136.475 flat angles C4'-P-C4' energy: -154.142 flat angles P-C4'-P energy: -98.815 tors. eta vs tors. theta energy: -196.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2197.767063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.767063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.767063 (E_RNA) where: Base-Base interactions energy: -1502.378 where: short stacking energy: -638.360 Base-Backbone interact. energy: -3.598 local terms energy: -691.790616 where: bonds (distance) C4'-P energy: -129.412 bonds (distance) P-C4' energy: -148.512 flat angles C4'-P-C4' energy: -156.868 flat angles P-C4'-P energy: -87.002 tors. eta vs tors. theta energy: -169.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1970.875717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.875717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.875717 (E_RNA) where: Base-Base interactions energy: -1331.819 where: short stacking energy: -567.729 Base-Backbone interact. energy: -3.753 local terms energy: -635.303236 where: bonds (distance) C4'-P energy: -118.002 bonds (distance) P-C4' energy: -148.328 flat angles C4'-P-C4' energy: -132.476 flat angles P-C4'-P energy: -91.019 tors. eta vs tors. theta energy: -145.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1804.502978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.502978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.502978 (E_RNA) where: Base-Base interactions energy: -1240.347 where: short stacking energy: -575.242 Base-Backbone interact. energy: -1.914 local terms energy: -562.241166 where: bonds (distance) C4'-P energy: -103.876 bonds (distance) P-C4' energy: -96.311 flat angles C4'-P-C4' energy: -135.951 flat angles P-C4'-P energy: -87.995 tors. eta vs tors. theta energy: -138.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1318.691276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.691276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.691276 (E_RNA) where: Base-Base interactions energy: -799.054 where: short stacking energy: -383.714 Base-Backbone interact. energy: 1.638 local terms energy: -521.275170 where: bonds (distance) C4'-P energy: -123.555 bonds (distance) P-C4' energy: -121.606 flat angles C4'-P-C4' energy: -129.062 flat angles P-C4'-P energy: -71.703 tors. eta vs tors. theta energy: -75.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -931.665571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.665571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.665571 (E_RNA) where: Base-Base interactions energy: -525.130 where: short stacking energy: -253.055 Base-Backbone interact. energy: -0.157 local terms energy: -406.379019 where: bonds (distance) C4'-P energy: -113.945 bonds (distance) P-C4' energy: -117.781 flat angles C4'-P-C4' energy: -98.877 flat angles P-C4'-P energy: -54.679 tors. eta vs tors. theta energy: -21.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -691.403940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.403940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.403940 (E_RNA) where: Base-Base interactions energy: -303.282 where: short stacking energy: -183.049 Base-Backbone interact. energy: 1.002 local terms energy: -389.123998 where: bonds (distance) C4'-P energy: -136.130 bonds (distance) P-C4' energy: -137.152 flat angles C4'-P-C4' energy: -90.936 flat angles P-C4'-P energy: -52.408 tors. eta vs tors. theta energy: 27.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2666.906985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.906985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.906985 (E_RNA) where: Base-Base interactions energy: -1853.969 where: short stacking energy: -787.371 Base-Backbone interact. energy: -2.035 local terms energy: -810.903044 where: bonds (distance) C4'-P energy: -150.003 bonds (distance) P-C4' energy: -147.593 flat angles C4'-P-C4' energy: -169.518 flat angles P-C4'-P energy: -103.339 tors. eta vs tors. theta energy: -240.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2544.681694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.681694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.681694 (E_RNA) where: Base-Base interactions energy: -1740.892 where: short stacking energy: -778.782 Base-Backbone interact. energy: -1.105 local terms energy: -802.684905 where: bonds (distance) C4'-P energy: -127.641 bonds (distance) P-C4' energy: -154.506 flat angles C4'-P-C4' energy: -170.890 flat angles P-C4'-P energy: -115.658 tors. eta vs tors. theta energy: -233.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2437.994364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.994364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.994364 (E_RNA) where: Base-Base interactions energy: -1685.423 where: short stacking energy: -711.551 Base-Backbone interact. energy: -4.769 local terms energy: -747.802248 where: bonds (distance) C4'-P energy: -148.984 bonds (distance) P-C4' energy: -148.458 flat angles C4'-P-C4' energy: -162.319 flat angles P-C4'-P energy: -90.141 tors. eta vs tors. theta energy: -197.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2338.667101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.667101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.667101 (E_RNA) where: Base-Base interactions energy: -1629.091 where: short stacking energy: -686.126 Base-Backbone interact. energy: -1.009 local terms energy: -708.566933 where: bonds (distance) C4'-P energy: -122.030 bonds (distance) P-C4' energy: -142.966 flat angles C4'-P-C4' energy: -130.907 flat angles P-C4'-P energy: -105.440 tors. eta vs tors. theta energy: -207.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2169.007223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.007223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.007223 (E_RNA) where: Base-Base interactions energy: -1505.401 where: short stacking energy: -633.280 Base-Backbone interact. energy: 0.261 local terms energy: -664.048381 where: bonds (distance) C4'-P energy: -137.170 bonds (distance) P-C4' energy: -124.811 flat angles C4'-P-C4' energy: -139.247 flat angles P-C4'-P energy: -84.489 tors. eta vs tors. theta energy: -178.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.181 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2001.800754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.800754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.800754 (E_RNA) where: Base-Base interactions energy: -1356.130 where: short stacking energy: -554.374 Base-Backbone interact. energy: -2.352 local terms energy: -643.318737 where: bonds (distance) C4'-P energy: -121.061 bonds (distance) P-C4' energy: -122.156 flat angles C4'-P-C4' energy: -156.609 flat angles P-C4'-P energy: -101.284 tors. eta vs tors. theta energy: -142.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1804.085088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.085088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.085088 (E_RNA) where: Base-Base interactions energy: -1194.560 where: short stacking energy: -494.911 Base-Backbone interact. energy: 2.677 local terms energy: -612.202055 where: bonds (distance) C4'-P energy: -132.273 bonds (distance) P-C4' energy: -134.254 flat angles C4'-P-C4' energy: -131.801 flat angles P-C4'-P energy: -88.855 tors. eta vs tors. theta energy: -125.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1347.990080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.990080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.990080 (E_RNA) where: Base-Base interactions energy: -826.021 where: short stacking energy: -388.340 Base-Backbone interact. energy: 3.593 local terms energy: -525.561411 where: bonds (distance) C4'-P energy: -97.032 bonds (distance) P-C4' energy: -132.855 flat angles C4'-P-C4' energy: -128.914 flat angles P-C4'-P energy: -80.589 tors. eta vs tors. theta energy: -86.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -852.184006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.184006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.184006 (E_RNA) where: Base-Base interactions energy: -427.103 where: short stacking energy: -232.882 Base-Backbone interact. energy: -2.501 local terms energy: -422.579397 where: bonds (distance) C4'-P energy: -120.361 bonds (distance) P-C4' energy: -110.759 flat angles C4'-P-C4' energy: -111.817 flat angles P-C4'-P energy: -64.801 tors. eta vs tors. theta energy: -14.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -622.877419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.877419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.877419 (E_RNA) where: Base-Base interactions energy: -257.526 where: short stacking energy: -168.670 Base-Backbone interact. energy: -2.781 local terms energy: -362.570634 where: bonds (distance) C4'-P energy: -129.113 bonds (distance) P-C4' energy: -126.587 flat angles C4'-P-C4' energy: -100.841 flat angles P-C4'-P energy: -43.131 tors. eta vs tors. theta energy: 37.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2663.604316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.604316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.604316 (E_RNA) where: Base-Base interactions energy: -1831.471 where: short stacking energy: -743.793 Base-Backbone interact. energy: -4.364 local terms energy: -827.768648 where: bonds (distance) C4'-P energy: -150.680 bonds (distance) P-C4' energy: -158.484 flat angles C4'-P-C4' energy: -168.970 flat angles P-C4'-P energy: -122.433 tors. eta vs tors. theta energy: -227.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2517.270139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.270139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.270139 (E_RNA) where: Base-Base interactions energy: -1726.123 where: short stacking energy: -766.233 Base-Backbone interact. energy: -1.459 local terms energy: -789.688049 where: bonds (distance) C4'-P energy: -138.165 bonds (distance) P-C4' energy: -143.859 flat angles C4'-P-C4' energy: -171.543 flat angles P-C4'-P energy: -107.007 tors. eta vs tors. theta energy: -229.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2402.276010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.276010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.276010 (E_RNA) where: Base-Base interactions energy: -1637.954 where: short stacking energy: -697.742 Base-Backbone interact. energy: -0.391 local terms energy: -763.930759 where: bonds (distance) C4'-P energy: -148.930 bonds (distance) P-C4' energy: -146.272 flat angles C4'-P-C4' energy: -165.902 flat angles P-C4'-P energy: -112.055 tors. eta vs tors. theta energy: -190.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2351.136565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.136565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.136565 (E_RNA) where: Base-Base interactions energy: -1629.377 where: short stacking energy: -711.890 Base-Backbone interact. energy: 0.988 local terms energy: -722.748246 where: bonds (distance) C4'-P energy: -114.337 bonds (distance) P-C4' energy: -137.983 flat angles C4'-P-C4' energy: -155.910 flat angles P-C4'-P energy: -101.646 tors. eta vs tors. theta energy: -212.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2097.295322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.295322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.295322 (E_RNA) where: Base-Base interactions energy: -1415.100 where: short stacking energy: -601.122 Base-Backbone interact. energy: -3.031 local terms energy: -679.163986 where: bonds (distance) C4'-P energy: -120.167 bonds (distance) P-C4' energy: -127.521 flat angles C4'-P-C4' energy: -159.516 flat angles P-C4'-P energy: -100.816 tors. eta vs tors. theta energy: -171.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2003.969491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.969491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.969491 (E_RNA) where: Base-Base interactions energy: -1363.275 where: short stacking energy: -595.581 Base-Backbone interact. energy: -7.645 local terms energy: -633.049890 where: bonds (distance) C4'-P energy: -123.020 bonds (distance) P-C4' energy: -112.136 flat angles C4'-P-C4' energy: -144.988 flat angles P-C4'-P energy: -88.644 tors. eta vs tors. theta energy: -164.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1834.163551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.163551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.163551 (E_RNA) where: Base-Base interactions energy: -1223.705 where: short stacking energy: -546.538 Base-Backbone interact. energy: -1.732 local terms energy: -608.726374 where: bonds (distance) C4'-P energy: -118.340 bonds (distance) P-C4' energy: -152.928 flat angles C4'-P-C4' energy: -125.219 flat angles P-C4'-P energy: -67.319 tors. eta vs tors. theta energy: -144.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1315.161689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.161689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.161689 (E_RNA) where: Base-Base interactions energy: -822.249 where: short stacking energy: -389.437 Base-Backbone interact. energy: -0.146 local terms energy: -492.766783 where: bonds (distance) C4'-P energy: -105.407 bonds (distance) P-C4' energy: -120.740 flat angles C4'-P-C4' energy: -115.852 flat angles P-C4'-P energy: -73.802 tors. eta vs tors. theta energy: -76.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -860.296514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.296514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.296514 (E_RNA) where: Base-Base interactions energy: -414.834 where: short stacking energy: -251.853 Base-Backbone interact. energy: 1.951 local terms energy: -447.413153 where: bonds (distance) C4'-P energy: -128.770 bonds (distance) P-C4' energy: -136.751 flat angles C4'-P-C4' energy: -115.093 flat angles P-C4'-P energy: -72.316 tors. eta vs tors. theta energy: 5.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -674.764041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.764041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.764041 (E_RNA) where: Base-Base interactions energy: -267.365 where: short stacking energy: -198.874 Base-Backbone interact. energy: 0.064 local terms energy: -407.462767 where: bonds (distance) C4'-P energy: -122.761 bonds (distance) P-C4' energy: -119.866 flat angles C4'-P-C4' energy: -96.967 flat angles P-C4'-P energy: -66.787 tors. eta vs tors. theta energy: -1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2678.444271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.444271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.444271 (E_RNA) where: Base-Base interactions energy: -1851.113 where: short stacking energy: -769.366 Base-Backbone interact. energy: 0.448 local terms energy: -827.779703 where: bonds (distance) C4'-P energy: -152.623 bonds (distance) P-C4' energy: -143.517 flat angles C4'-P-C4' energy: -169.430 flat angles P-C4'-P energy: -126.933 tors. eta vs tors. theta energy: -235.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2533.956974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.956974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.956974 (E_RNA) where: Base-Base interactions energy: -1722.114 where: short stacking energy: -749.168 Base-Backbone interact. energy: -4.750 local terms energy: -807.092879 where: bonds (distance) C4'-P energy: -142.116 bonds (distance) P-C4' energy: -139.435 flat angles C4'-P-C4' energy: -181.754 flat angles P-C4'-P energy: -110.930 tors. eta vs tors. theta energy: -232.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2409.635587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.635587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.635587 (E_RNA) where: Base-Base interactions energy: -1668.126 where: short stacking energy: -711.330 Base-Backbone interact. energy: -4.429 local terms energy: -737.080688 where: bonds (distance) C4'-P energy: -135.278 bonds (distance) P-C4' energy: -150.383 flat angles C4'-P-C4' energy: -148.618 flat angles P-C4'-P energy: -105.950 tors. eta vs tors. theta energy: -196.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2340.671899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.671899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.671899 (E_RNA) where: Base-Base interactions energy: -1584.134 where: short stacking energy: -657.132 Base-Backbone interact. energy: -3.543 local terms energy: -752.995213 where: bonds (distance) C4'-P energy: -135.898 bonds (distance) P-C4' energy: -159.930 flat angles C4'-P-C4' energy: -168.897 flat angles P-C4'-P energy: -107.047 tors. eta vs tors. theta energy: -181.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2128.483832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.483832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.483832 (E_RNA) where: Base-Base interactions energy: -1460.979 where: short stacking energy: -603.003 Base-Backbone interact. energy: 0.097 local terms energy: -667.602663 where: bonds (distance) C4'-P energy: -129.730 bonds (distance) P-C4' energy: -118.107 flat angles C4'-P-C4' energy: -142.387 flat angles P-C4'-P energy: -105.396 tors. eta vs tors. theta energy: -171.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2040.523122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.523122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.523122 (E_RNA) where: Base-Base interactions energy: -1358.632 where: short stacking energy: -590.937 Base-Backbone interact. energy: -0.654 local terms energy: -681.236824 where: bonds (distance) C4'-P energy: -135.806 bonds (distance) P-C4' energy: -138.819 flat angles C4'-P-C4' energy: -143.574 flat angles P-C4'-P energy: -84.679 tors. eta vs tors. theta energy: -178.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1761.293953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.293953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.293953 (E_RNA) where: Base-Base interactions energy: -1160.719 where: short stacking energy: -516.077 Base-Backbone interact. energy: -3.143 local terms energy: -597.431334 where: bonds (distance) C4'-P energy: -124.657 bonds (distance) P-C4' energy: -132.744 flat angles C4'-P-C4' energy: -133.615 flat angles P-C4'-P energy: -77.608 tors. eta vs tors. theta energy: -128.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1387.984674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.984674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.984674 (E_RNA) where: Base-Base interactions energy: -868.774 where: short stacking energy: -399.490 Base-Backbone interact. energy: 1.872 local terms energy: -521.082949 where: bonds (distance) C4'-P energy: -114.349 bonds (distance) P-C4' energy: -133.082 flat angles C4'-P-C4' energy: -119.310 flat angles P-C4'-P energy: -89.358 tors. eta vs tors. theta energy: -64.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -760.891301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.891301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.891301 (E_RNA) where: Base-Base interactions energy: -369.153 where: short stacking energy: -229.576 Base-Backbone interact. energy: 5.176 local terms energy: -396.914827 where: bonds (distance) C4'-P energy: -117.424 bonds (distance) P-C4' energy: -120.889 flat angles C4'-P-C4' energy: -101.299 flat angles P-C4'-P energy: -61.351 tors. eta vs tors. theta energy: 4.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -626.879275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.879275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.879275 (E_RNA) where: Base-Base interactions energy: -270.516 where: short stacking energy: -172.999 Base-Backbone interact. energy: 7.247 local terms energy: -363.947414 where: bonds (distance) C4'-P energy: -110.303 bonds (distance) P-C4' energy: -121.790 flat angles C4'-P-C4' energy: -112.779 flat angles P-C4'-P energy: -56.992 tors. eta vs tors. theta energy: 37.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.337 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2694.464264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.464264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.464264 (E_RNA) where: Base-Base interactions energy: -1858.897 where: short stacking energy: -777.397 Base-Backbone interact. energy: -2.613 local terms energy: -832.954440 where: bonds (distance) C4'-P energy: -158.307 bonds (distance) P-C4' energy: -154.850 flat angles C4'-P-C4' energy: -167.835 flat angles P-C4'-P energy: -114.064 tors. eta vs tors. theta energy: -237.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2511.825001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.825001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.825001 (E_RNA) where: Base-Base interactions energy: -1687.577 where: short stacking energy: -756.069 Base-Backbone interact. energy: -3.177 local terms energy: -821.070321 where: bonds (distance) C4'-P energy: -138.262 bonds (distance) P-C4' energy: -155.903 flat angles C4'-P-C4' energy: -187.802 flat angles P-C4'-P energy: -108.917 tors. eta vs tors. theta energy: -230.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2415.102442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.102442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.102442 (E_RNA) where: Base-Base interactions energy: -1682.521 where: short stacking energy: -719.612 Base-Backbone interact. energy: 7.670 local terms energy: -740.251783 where: bonds (distance) C4'-P energy: -123.491 bonds (distance) P-C4' energy: -133.107 flat angles C4'-P-C4' energy: -161.622 flat angles P-C4'-P energy: -110.482 tors. eta vs tors. theta energy: -211.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2320.974424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.974424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.974424 (E_RNA) where: Base-Base interactions energy: -1594.417 where: short stacking energy: -681.131 Base-Backbone interact. energy: -1.787 local terms energy: -724.771024 where: bonds (distance) C4'-P energy: -131.265 bonds (distance) P-C4' energy: -148.011 flat angles C4'-P-C4' energy: -165.456 flat angles P-C4'-P energy: -93.191 tors. eta vs tors. theta energy: -186.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2188.664620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.664620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.664620 (E_RNA) where: Base-Base interactions energy: -1491.804 where: short stacking energy: -638.257 Base-Backbone interact. energy: -2.750 local terms energy: -694.110672 where: bonds (distance) C4'-P energy: -128.449 bonds (distance) P-C4' energy: -146.772 flat angles C4'-P-C4' energy: -145.145 flat angles P-C4'-P energy: -91.143 tors. eta vs tors. theta energy: -182.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1999.189827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.189827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.189827 (E_RNA) where: Base-Base interactions energy: -1331.193 where: short stacking energy: -592.229 Base-Backbone interact. energy: -0.476 local terms energy: -667.520384 where: bonds (distance) C4'-P energy: -126.679 bonds (distance) P-C4' energy: -147.046 flat angles C4'-P-C4' energy: -132.274 flat angles P-C4'-P energy: -103.765 tors. eta vs tors. theta energy: -157.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1791.427712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.427712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.427712 (E_RNA) where: Base-Base interactions energy: -1192.556 where: short stacking energy: -522.724 Base-Backbone interact. energy: -0.958 local terms energy: -597.914341 where: bonds (distance) C4'-P energy: -124.330 bonds (distance) P-C4' energy: -133.922 flat angles C4'-P-C4' energy: -122.136 flat angles P-C4'-P energy: -77.204 tors. eta vs tors. theta energy: -140.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1375.506237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.506237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.506237 (E_RNA) where: Base-Base interactions energy: -872.231 where: short stacking energy: -417.141 Base-Backbone interact. energy: 1.750 local terms energy: -505.025503 where: bonds (distance) C4'-P energy: -95.614 bonds (distance) P-C4' energy: -124.787 flat angles C4'-P-C4' energy: -129.332 flat angles P-C4'-P energy: -79.681 tors. eta vs tors. theta energy: -75.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -836.924448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.924448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.924448 (E_RNA) where: Base-Base interactions energy: -423.974 where: short stacking energy: -269.228 Base-Backbone interact. energy: 1.419 local terms energy: -414.370055 where: bonds (distance) C4'-P energy: -124.300 bonds (distance) P-C4' energy: -142.427 flat angles C4'-P-C4' energy: -90.182 flat angles P-C4'-P energy: -67.253 tors. eta vs tors. theta energy: 9.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -735.708694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.708694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.708694 (E_RNA) where: Base-Base interactions energy: -345.018 where: short stacking energy: -211.363 Base-Backbone interact. energy: -1.492 local terms energy: -389.199135 where: bonds (distance) C4'-P energy: -123.167 bonds (distance) P-C4' energy: -119.959 flat angles C4'-P-C4' energy: -84.915 flat angles P-C4'-P energy: -58.743 tors. eta vs tors. theta energy: -2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2688.506705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.506705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.506705 (E_RNA) where: Base-Base interactions energy: -1864.450 where: short stacking energy: -781.322 Base-Backbone interact. energy: -3.168 local terms energy: -820.889162 where: bonds (distance) C4'-P energy: -144.779 bonds (distance) P-C4' energy: -153.971 flat angles C4'-P-C4' energy: -176.577 flat angles P-C4'-P energy: -104.774 tors. eta vs tors. theta energy: -240.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2511.008800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.008800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.008800 (E_RNA) where: Base-Base interactions energy: -1717.130 where: short stacking energy: -756.057 Base-Backbone interact. energy: -2.573 local terms energy: -791.306045 where: bonds (distance) C4'-P energy: -134.639 bonds (distance) P-C4' energy: -148.603 flat angles C4'-P-C4' energy: -172.583 flat angles P-C4'-P energy: -108.469 tors. eta vs tors. theta energy: -227.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2439.800959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.800959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.800959 (E_RNA) where: Base-Base interactions energy: -1669.627 where: short stacking energy: -725.057 Base-Backbone interact. energy: -1.808 local terms energy: -768.365585 where: bonds (distance) C4'-P energy: -135.251 bonds (distance) P-C4' energy: -144.364 flat angles C4'-P-C4' energy: -163.093 flat angles P-C4'-P energy: -114.028 tors. eta vs tors. theta energy: -211.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2324.235195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.235195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.235195 (E_RNA) where: Base-Base interactions energy: -1591.512 where: short stacking energy: -665.172 Base-Backbone interact. energy: 1.600 local terms energy: -734.322750 where: bonds (distance) C4'-P energy: -138.978 bonds (distance) P-C4' energy: -138.678 flat angles C4'-P-C4' energy: -159.068 flat angles P-C4'-P energy: -107.208 tors. eta vs tors. theta energy: -190.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2156.790137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.790137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.790137 (E_RNA) where: Base-Base interactions energy: -1458.346 where: short stacking energy: -622.333 Base-Backbone interact. energy: 1.170 local terms energy: -699.614257 where: bonds (distance) C4'-P energy: -121.854 bonds (distance) P-C4' energy: -144.067 flat angles C4'-P-C4' energy: -149.140 flat angles P-C4'-P energy: -105.952 tors. eta vs tors. theta energy: -178.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1937.183719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.183719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.183719 (E_RNA) where: Base-Base interactions energy: -1267.489 where: short stacking energy: -541.194 Base-Backbone interact. energy: -1.818 local terms energy: -667.876357 where: bonds (distance) C4'-P energy: -136.758 bonds (distance) P-C4' energy: -132.336 flat angles C4'-P-C4' energy: -141.303 flat angles P-C4'-P energy: -92.516 tors. eta vs tors. theta energy: -164.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1859.017894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.017894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.017894 (E_RNA) where: Base-Base interactions energy: -1270.376 where: short stacking energy: -516.720 Base-Backbone interact. energy: -0.026 local terms energy: -588.616125 where: bonds (distance) C4'-P energy: -116.880 bonds (distance) P-C4' energy: -132.593 flat angles C4'-P-C4' energy: -138.288 flat angles P-C4'-P energy: -86.279 tors. eta vs tors. theta energy: -114.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1376.437493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.437493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.437493 (E_RNA) where: Base-Base interactions energy: -853.481 where: short stacking energy: -414.445 Base-Backbone interact. energy: 1.018 local terms energy: -523.974686 where: bonds (distance) C4'-P energy: -128.375 bonds (distance) P-C4' energy: -134.699 flat angles C4'-P-C4' energy: -113.944 flat angles P-C4'-P energy: -73.935 tors. eta vs tors. theta energy: -73.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -837.653009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.653009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.653009 (E_RNA) where: Base-Base interactions energy: -427.566 where: short stacking energy: -221.703 Base-Backbone interact. energy: -3.273 local terms energy: -406.814428 where: bonds (distance) C4'-P energy: -110.829 bonds (distance) P-C4' energy: -125.805 flat angles C4'-P-C4' energy: -102.539 flat angles P-C4'-P energy: -61.483 tors. eta vs tors. theta energy: -6.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -658.505839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.505839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.505839 (E_RNA) where: Base-Base interactions energy: -301.244 where: short stacking energy: -195.691 Base-Backbone interact. energy: 0.549 local terms energy: -357.994091 where: bonds (distance) C4'-P energy: -113.581 bonds (distance) P-C4' energy: -120.324 flat angles C4'-P-C4' energy: -103.152 flat angles P-C4'-P energy: -37.328 tors. eta vs tors. theta energy: 16.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.183 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2658.956354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.956354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.956354 (E_RNA) where: Base-Base interactions energy: -1823.005 where: short stacking energy: -788.159 Base-Backbone interact. energy: -5.197 local terms energy: -830.754557 where: bonds (distance) C4'-P energy: -151.328 bonds (distance) P-C4' energy: -158.710 flat angles C4'-P-C4' energy: -160.735 flat angles P-C4'-P energy: -118.540 tors. eta vs tors. theta energy: -241.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2528.573182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.573182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.573182 (E_RNA) where: Base-Base interactions energy: -1696.400 where: short stacking energy: -730.709 Base-Backbone interact. energy: -3.884 local terms energy: -828.289452 where: bonds (distance) C4'-P energy: -149.087 bonds (distance) P-C4' energy: -159.746 flat angles C4'-P-C4' energy: -180.633 flat angles P-C4'-P energy: -110.427 tors. eta vs tors. theta energy: -228.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2385.622893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.622893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.622893 (E_RNA) where: Base-Base interactions energy: -1628.867 where: short stacking energy: -707.601 Base-Backbone interact. energy: -2.833 local terms energy: -753.922344 where: bonds (distance) C4'-P energy: -134.050 bonds (distance) P-C4' energy: -141.080 flat angles C4'-P-C4' energy: -153.029 flat angles P-C4'-P energy: -111.502 tors. eta vs tors. theta energy: -214.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2312.115062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.115062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.115062 (E_RNA) where: Base-Base interactions energy: -1606.783 where: short stacking energy: -674.445 Base-Backbone interact. energy: -0.537 local terms energy: -704.795348 where: bonds (distance) C4'-P energy: -118.490 bonds (distance) P-C4' energy: -134.255 flat angles C4'-P-C4' energy: -169.131 flat angles P-C4'-P energy: -104.618 tors. eta vs tors. theta energy: -178.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2216.447685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.447685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.447685 (E_RNA) where: Base-Base interactions energy: -1516.718 where: short stacking energy: -668.757 Base-Backbone interact. energy: -2.618 local terms energy: -697.112116 where: bonds (distance) C4'-P energy: -131.471 bonds (distance) P-C4' energy: -128.155 flat angles C4'-P-C4' energy: -158.929 flat angles P-C4'-P energy: -84.562 tors. eta vs tors. theta energy: -193.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1917.228016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.228016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.228016 (E_RNA) where: Base-Base interactions energy: -1295.305 where: short stacking energy: -541.052 Base-Backbone interact. energy: -1.875 local terms energy: -620.047939 where: bonds (distance) C4'-P energy: -120.369 bonds (distance) P-C4' energy: -123.943 flat angles C4'-P-C4' energy: -136.687 flat angles P-C4'-P energy: -94.849 tors. eta vs tors. theta energy: -144.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1877.871920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.871920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.871920 (E_RNA) where: Base-Base interactions energy: -1273.501 where: short stacking energy: -525.323 Base-Backbone interact. energy: -2.695 local terms energy: -601.675871 where: bonds (distance) C4'-P energy: -128.544 bonds (distance) P-C4' energy: -121.045 flat angles C4'-P-C4' energy: -141.317 flat angles P-C4'-P energy: -86.970 tors. eta vs tors. theta energy: -123.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1440.285154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.285154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.285154 (E_RNA) where: Base-Base interactions energy: -898.793 where: short stacking energy: -409.787 Base-Backbone interact. energy: 1.377 local terms energy: -542.870028 where: bonds (distance) C4'-P energy: -109.671 bonds (distance) P-C4' energy: -144.489 flat angles C4'-P-C4' energy: -122.685 flat angles P-C4'-P energy: -76.327 tors. eta vs tors. theta energy: -89.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -831.578943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.578943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.578943 (E_RNA) where: Base-Base interactions energy: -386.641 where: short stacking energy: -227.381 Base-Backbone interact. energy: -1.960 local terms energy: -442.977669 where: bonds (distance) C4'-P energy: -114.569 bonds (distance) P-C4' energy: -127.609 flat angles C4'-P-C4' energy: -119.283 flat angles P-C4'-P energy: -68.720 tors. eta vs tors. theta energy: -12.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -627.487091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.487091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.487091 (E_RNA) where: Base-Base interactions energy: -247.062 where: short stacking energy: -150.914 Base-Backbone interact. energy: 0.309 local terms energy: -380.734331 where: bonds (distance) C4'-P energy: -122.322 bonds (distance) P-C4' energy: -99.855 flat angles C4'-P-C4' energy: -121.408 flat angles P-C4'-P energy: -54.966 tors. eta vs tors. theta energy: 17.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2655.990119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.990119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.990119 (E_RNA) where: Base-Base interactions energy: -1836.903 where: short stacking energy: -778.168 Base-Backbone interact. energy: -1.728 local terms energy: -817.359467 where: bonds (distance) C4'-P energy: -143.396 bonds (distance) P-C4' energy: -162.501 flat angles C4'-P-C4' energy: -166.609 flat angles P-C4'-P energy: -116.259 tors. eta vs tors. theta energy: -228.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2534.100113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.100113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.100113 (E_RNA) where: Base-Base interactions energy: -1725.593 where: short stacking energy: -767.971 Base-Backbone interact. energy: 1.286 local terms energy: -809.793186 where: bonds (distance) C4'-P energy: -148.601 bonds (distance) P-C4' energy: -153.205 flat angles C4'-P-C4' energy: -171.850 flat angles P-C4'-P energy: -116.144 tors. eta vs tors. theta energy: -219.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2422.319356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.319356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.319356 (E_RNA) where: Base-Base interactions energy: -1656.086 where: short stacking energy: -703.695 Base-Backbone interact. energy: -1.697 local terms energy: -764.535809 where: bonds (distance) C4'-P energy: -159.352 bonds (distance) P-C4' energy: -140.129 flat angles C4'-P-C4' energy: -154.872 flat angles P-C4'-P energy: -113.091 tors. eta vs tors. theta energy: -197.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2312.691355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.691355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.691355 (E_RNA) where: Base-Base interactions energy: -1607.561 where: short stacking energy: -663.372 Base-Backbone interact. energy: -3.042 local terms energy: -702.087491 where: bonds (distance) C4'-P energy: -122.198 bonds (distance) P-C4' energy: -153.098 flat angles C4'-P-C4' energy: -154.965 flat angles P-C4'-P energy: -87.093 tors. eta vs tors. theta energy: -184.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2168.222919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.222919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.222919 (E_RNA) where: Base-Base interactions energy: -1469.652 where: short stacking energy: -656.499 Base-Backbone interact. energy: -0.942 local terms energy: -697.629369 where: bonds (distance) C4'-P energy: -129.873 bonds (distance) P-C4' energy: -132.180 flat angles C4'-P-C4' energy: -159.973 flat angles P-C4'-P energy: -89.722 tors. eta vs tors. theta energy: -185.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1970.972377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.972377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.972377 (E_RNA) where: Base-Base interactions energy: -1306.349 where: short stacking energy: -541.558 Base-Backbone interact. energy: -1.033 local terms energy: -663.590437 where: bonds (distance) C4'-P energy: -141.654 bonds (distance) P-C4' energy: -144.427 flat angles C4'-P-C4' energy: -144.340 flat angles P-C4'-P energy: -72.986 tors. eta vs tors. theta energy: -160.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1901.554108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.554108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.554108 (E_RNA) where: Base-Base interactions energy: -1305.734 where: short stacking energy: -541.445 Base-Backbone interact. energy: -0.569 local terms energy: -595.251527 where: bonds (distance) C4'-P energy: -103.267 bonds (distance) P-C4' energy: -129.537 flat angles C4'-P-C4' energy: -137.187 flat angles P-C4'-P energy: -82.635 tors. eta vs tors. theta energy: -142.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1491.354856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.354856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.354856 (E_RNA) where: Base-Base interactions energy: -958.109 where: short stacking energy: -431.662 Base-Backbone interact. energy: -2.003 local terms energy: -531.242096 where: bonds (distance) C4'-P energy: -123.680 bonds (distance) P-C4' energy: -128.566 flat angles C4'-P-C4' energy: -145.301 flat angles P-C4'-P energy: -60.557 tors. eta vs tors. theta energy: -73.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -816.463790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.463790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.463790 (E_RNA) where: Base-Base interactions energy: -409.407 where: short stacking energy: -224.367 Base-Backbone interact. energy: 0.780 local terms energy: -407.836706 where: bonds (distance) C4'-P energy: -100.489 bonds (distance) P-C4' energy: -134.844 flat angles C4'-P-C4' energy: -117.826 flat angles P-C4'-P energy: -51.084 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -747.653297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.653297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.653297 (E_RNA) where: Base-Base interactions energy: -363.442 where: short stacking energy: -193.510 Base-Backbone interact. energy: 2.407 local terms energy: -386.618216 where: bonds (distance) C4'-P energy: -121.903 bonds (distance) P-C4' energy: -122.867 flat angles C4'-P-C4' energy: -95.601 flat angles P-C4'-P energy: -68.933 tors. eta vs tors. theta energy: 22.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2665.117424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.117424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.117424 (E_RNA) where: Base-Base interactions energy: -1854.525 where: short stacking energy: -774.077 Base-Backbone interact. energy: -1.383 local terms energy: -809.209174 where: bonds (distance) C4'-P energy: -152.597 bonds (distance) P-C4' energy: -147.271 flat angles C4'-P-C4' energy: -167.877 flat angles P-C4'-P energy: -110.685 tors. eta vs tors. theta energy: -230.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2505.685158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.685158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.685158 (E_RNA) where: Base-Base interactions energy: -1709.097 where: short stacking energy: -749.973 Base-Backbone interact. energy: -2.881 local terms energy: -793.707397 where: bonds (distance) C4'-P energy: -146.715 bonds (distance) P-C4' energy: -133.266 flat angles C4'-P-C4' energy: -171.219 flat angles P-C4'-P energy: -111.638 tors. eta vs tors. theta energy: -230.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2397.266714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.266714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.266714 (E_RNA) where: Base-Base interactions energy: -1671.912 where: short stacking energy: -720.463 Base-Backbone interact. energy: -1.284 local terms energy: -724.070354 where: bonds (distance) C4'-P energy: -143.902 bonds (distance) P-C4' energy: -130.950 flat angles C4'-P-C4' energy: -164.305 flat angles P-C4'-P energy: -93.135 tors. eta vs tors. theta energy: -191.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2314.783915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.783915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.783915 (E_RNA) where: Base-Base interactions energy: -1585.964 where: short stacking energy: -671.847 Base-Backbone interact. energy: -3.095 local terms energy: -725.725685 where: bonds (distance) C4'-P energy: -128.688 bonds (distance) P-C4' energy: -136.364 flat angles C4'-P-C4' energy: -164.752 flat angles P-C4'-P energy: -108.390 tors. eta vs tors. theta energy: -187.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2155.796376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.796376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.796376 (E_RNA) where: Base-Base interactions energy: -1442.868 where: short stacking energy: -640.179 Base-Backbone interact. energy: -2.077 local terms energy: -710.850957 where: bonds (distance) C4'-P energy: -141.270 bonds (distance) P-C4' energy: -135.408 flat angles C4'-P-C4' energy: -146.551 flat angles P-C4'-P energy: -98.436 tors. eta vs tors. theta energy: -189.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1923.712687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.712687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.712687 (E_RNA) where: Base-Base interactions energy: -1288.644 where: short stacking energy: -553.145 Base-Backbone interact. energy: -2.450 local terms energy: -632.619340 where: bonds (distance) C4'-P energy: -123.896 bonds (distance) P-C4' energy: -136.981 flat angles C4'-P-C4' energy: -145.073 flat angles P-C4'-P energy: -84.008 tors. eta vs tors. theta energy: -142.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1869.903182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.903182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.903182 (E_RNA) where: Base-Base interactions energy: -1248.762 where: short stacking energy: -543.130 Base-Backbone interact. energy: -0.712 local terms energy: -620.429685 where: bonds (distance) C4'-P energy: -114.213 bonds (distance) P-C4' energy: -135.345 flat angles C4'-P-C4' energy: -149.705 flat angles P-C4'-P energy: -76.868 tors. eta vs tors. theta energy: -144.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1481.964669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.964669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.964669 (E_RNA) where: Base-Base interactions energy: -974.786 where: short stacking energy: -459.573 Base-Backbone interact. energy: -3.495 local terms energy: -503.683367 where: bonds (distance) C4'-P energy: -106.762 bonds (distance) P-C4' energy: -105.318 flat angles C4'-P-C4' energy: -120.892 flat angles P-C4'-P energy: -79.318 tors. eta vs tors. theta energy: -91.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -851.904338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.904338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.904338 (E_RNA) where: Base-Base interactions energy: -421.925 where: short stacking energy: -252.739 Base-Backbone interact. energy: 11.818 local terms energy: -441.797823 where: bonds (distance) C4'-P energy: -107.647 bonds (distance) P-C4' energy: -137.683 flat angles C4'-P-C4' energy: -131.364 flat angles P-C4'-P energy: -59.653 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -706.412116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.412116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.412116 (E_RNA) where: Base-Base interactions energy: -318.882 where: short stacking energy: -178.405 Base-Backbone interact. energy: -3.997 local terms energy: -383.533589 where: bonds (distance) C4'-P energy: -131.410 bonds (distance) P-C4' energy: -120.312 flat angles C4'-P-C4' energy: -122.408 flat angles P-C4'-P energy: -40.612 tors. eta vs tors. theta energy: 31.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2652.042588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.042588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.042588 (E_RNA) where: Base-Base interactions energy: -1828.273 where: short stacking energy: -768.829 Base-Backbone interact. energy: -5.295 local terms energy: -818.474780 where: bonds (distance) C4'-P energy: -138.861 bonds (distance) P-C4' energy: -147.225 flat angles C4'-P-C4' energy: -166.336 flat angles P-C4'-P energy: -127.095 tors. eta vs tors. theta energy: -238.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2534.162813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.162813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.162813 (E_RNA) where: Base-Base interactions energy: -1725.306 where: short stacking energy: -782.644 Base-Backbone interact. energy: -2.735 local terms energy: -806.122054 where: bonds (distance) C4'-P energy: -146.312 bonds (distance) P-C4' energy: -143.367 flat angles C4'-P-C4' energy: -172.207 flat angles P-C4'-P energy: -116.594 tors. eta vs tors. theta energy: -227.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2423.772992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.772992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.772992 (E_RNA) where: Base-Base interactions energy: -1665.392 where: short stacking energy: -720.045 Base-Backbone interact. energy: 1.444 local terms energy: -759.825052 where: bonds (distance) C4'-P energy: -147.352 bonds (distance) P-C4' energy: -141.803 flat angles C4'-P-C4' energy: -157.759 flat angles P-C4'-P energy: -113.259 tors. eta vs tors. theta energy: -199.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2293.997927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.997927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.997927 (E_RNA) where: Base-Base interactions energy: -1576.197 where: short stacking energy: -675.961 Base-Backbone interact. energy: -2.015 local terms energy: -715.785771 where: bonds (distance) C4'-P energy: -142.224 bonds (distance) P-C4' energy: -134.773 flat angles C4'-P-C4' energy: -161.764 flat angles P-C4'-P energy: -96.692 tors. eta vs tors. theta energy: -180.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2185.119683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.119683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.119683 (E_RNA) where: Base-Base interactions energy: -1485.805 where: short stacking energy: -676.398 Base-Backbone interact. energy: -4.457 local terms energy: -694.857776 where: bonds (distance) C4'-P energy: -113.114 bonds (distance) P-C4' energy: -134.679 flat angles C4'-P-C4' energy: -157.591 flat angles P-C4'-P energy: -99.087 tors. eta vs tors. theta energy: -190.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1944.621661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.621661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.621661 (E_RNA) where: Base-Base interactions energy: -1275.715 where: short stacking energy: -551.264 Base-Backbone interact. energy: -0.519 local terms energy: -668.387814 where: bonds (distance) C4'-P energy: -125.596 bonds (distance) P-C4' energy: -146.847 flat angles C4'-P-C4' energy: -147.357 flat angles P-C4'-P energy: -100.730 tors. eta vs tors. theta energy: -147.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1789.167367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.167367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.167367 (E_RNA) where: Base-Base interactions energy: -1169.486 where: short stacking energy: -528.281 Base-Backbone interact. energy: 4.197 local terms energy: -623.877969 where: bonds (distance) C4'-P energy: -127.639 bonds (distance) P-C4' energy: -128.585 flat angles C4'-P-C4' energy: -145.571 flat angles P-C4'-P energy: -76.319 tors. eta vs tors. theta energy: -145.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1472.561728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.561728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.561728 (E_RNA) where: Base-Base interactions energy: -962.828 where: short stacking energy: -411.206 Base-Backbone interact. energy: -3.062 local terms energy: -506.671390 where: bonds (distance) C4'-P energy: -129.189 bonds (distance) P-C4' energy: -117.705 flat angles C4'-P-C4' energy: -118.752 flat angles P-C4'-P energy: -75.797 tors. eta vs tors. theta energy: -65.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -795.345726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.345726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.345726 (E_RNA) where: Base-Base interactions energy: -386.814 where: short stacking energy: -228.740 Base-Backbone interact. energy: 0.274 local terms energy: -408.806061 where: bonds (distance) C4'-P energy: -111.392 bonds (distance) P-C4' energy: -138.116 flat angles C4'-P-C4' energy: -108.221 flat angles P-C4'-P energy: -47.244 tors. eta vs tors. theta energy: -3.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -736.779982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.779982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.779982 (E_RNA) where: Base-Base interactions energy: -353.872 where: short stacking energy: -185.587 Base-Backbone interact. energy: -4.016 local terms energy: -379.912696 where: bonds (distance) C4'-P energy: -125.549 bonds (distance) P-C4' energy: -122.989 flat angles C4'-P-C4' energy: -92.352 flat angles P-C4'-P energy: -56.307 tors. eta vs tors. theta energy: 17.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.021 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2662.858175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.858175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.858175 (E_RNA) where: Base-Base interactions energy: -1841.634 where: short stacking energy: -760.395 Base-Backbone interact. energy: -2.957 local terms energy: -818.266904 where: bonds (distance) C4'-P energy: -152.585 bonds (distance) P-C4' energy: -152.516 flat angles C4'-P-C4' energy: -177.833 flat angles P-C4'-P energy: -95.698 tors. eta vs tors. theta energy: -239.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2522.608053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.608053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.608053 (E_RNA) where: Base-Base interactions energy: -1736.799 where: short stacking energy: -773.369 Base-Backbone interact. energy: -1.358 local terms energy: -784.450701 where: bonds (distance) C4'-P energy: -133.645 bonds (distance) P-C4' energy: -138.999 flat angles C4'-P-C4' energy: -172.880 flat angles P-C4'-P energy: -101.824 tors. eta vs tors. theta energy: -237.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2394.540138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.540138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.540138 (E_RNA) where: Base-Base interactions energy: -1644.168 where: short stacking energy: -709.328 Base-Backbone interact. energy: 2.239 local terms energy: -752.610800 where: bonds (distance) C4'-P energy: -141.384 bonds (distance) P-C4' energy: -139.563 flat angles C4'-P-C4' energy: -166.513 flat angles P-C4'-P energy: -109.850 tors. eta vs tors. theta energy: -195.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2279.586753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.586753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.586753 (E_RNA) where: Base-Base interactions energy: -1554.181 where: short stacking energy: -709.501 Base-Backbone interact. energy: 1.073 local terms energy: -726.478683 where: bonds (distance) C4'-P energy: -131.552 bonds (distance) P-C4' energy: -132.343 flat angles C4'-P-C4' energy: -151.151 flat angles P-C4'-P energy: -103.694 tors. eta vs tors. theta energy: -207.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2289.784377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.784377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.784377 (E_RNA) where: Base-Base interactions energy: -1578.599 where: short stacking energy: -643.361 Base-Backbone interact. energy: -2.816 local terms energy: -708.368827 where: bonds (distance) C4'-P energy: -130.649 bonds (distance) P-C4' energy: -131.808 flat angles C4'-P-C4' energy: -158.708 flat angles P-C4'-P energy: -104.788 tors. eta vs tors. theta energy: -182.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1952.679161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.679161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.679161 (E_RNA) where: Base-Base interactions energy: -1310.196 where: short stacking energy: -569.323 Base-Backbone interact. energy: -0.262 local terms energy: -642.220508 where: bonds (distance) C4'-P energy: -121.789 bonds (distance) P-C4' energy: -133.316 flat angles C4'-P-C4' energy: -148.219 flat angles P-C4'-P energy: -83.163 tors. eta vs tors. theta energy: -155.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1745.519289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.519289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.519289 (E_RNA) where: Base-Base interactions energy: -1156.968 where: short stacking energy: -502.150 Base-Backbone interact. energy: -2.475 local terms energy: -586.076828 where: bonds (distance) C4'-P energy: -112.272 bonds (distance) P-C4' energy: -137.106 flat angles C4'-P-C4' energy: -126.913 flat angles P-C4'-P energy: -93.428 tors. eta vs tors. theta energy: -116.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1451.516778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.516778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.516778 (E_RNA) where: Base-Base interactions energy: -918.949 where: short stacking energy: -392.307 Base-Backbone interact. energy: 0.095 local terms energy: -532.662923 where: bonds (distance) C4'-P energy: -127.772 bonds (distance) P-C4' energy: -138.223 flat angles C4'-P-C4' energy: -119.015 flat angles P-C4'-P energy: -67.771 tors. eta vs tors. theta energy: -79.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -805.076898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.076898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.076898 (E_RNA) where: Base-Base interactions energy: -401.173 where: short stacking energy: -216.142 Base-Backbone interact. energy: 1.509 local terms energy: -405.412664 where: bonds (distance) C4'-P energy: -132.783 bonds (distance) P-C4' energy: -118.360 flat angles C4'-P-C4' energy: -108.538 flat angles P-C4'-P energy: -56.326 tors. eta vs tors. theta energy: 10.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -783.481360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.481360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.481360 (E_RNA) where: Base-Base interactions energy: -373.801 where: short stacking energy: -231.897 Base-Backbone interact. energy: 0.220 local terms energy: -409.899926 where: bonds (distance) C4'-P energy: -98.615 bonds (distance) P-C4' energy: -125.409 flat angles C4'-P-C4' energy: -115.660 flat angles P-C4'-P energy: -52.951 tors. eta vs tors. theta energy: -17.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2658.466920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.466920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.466920 (E_RNA) where: Base-Base interactions energy: -1841.497 where: short stacking energy: -792.309 Base-Backbone interact. energy: -0.596 local terms energy: -816.373755 where: bonds (distance) C4'-P energy: -136.789 bonds (distance) P-C4' energy: -161.000 flat angles C4'-P-C4' energy: -167.831 flat angles P-C4'-P energy: -111.754 tors. eta vs tors. theta energy: -239.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2528.023325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.023325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.023325 (E_RNA) where: Base-Base interactions energy: -1765.676 where: short stacking energy: -785.965 Base-Backbone interact. energy: -4.584 local terms energy: -757.763234 where: bonds (distance) C4'-P energy: -116.846 bonds (distance) P-C4' energy: -138.596 flat angles C4'-P-C4' energy: -160.674 flat angles P-C4'-P energy: -111.941 tors. eta vs tors. theta energy: -229.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2379.166635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.166635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.166635 (E_RNA) where: Base-Base interactions energy: -1663.231 where: short stacking energy: -689.221 Base-Backbone interact. energy: -0.255 local terms energy: -715.680282 where: bonds (distance) C4'-P energy: -136.653 bonds (distance) P-C4' energy: -150.941 flat angles C4'-P-C4' energy: -138.915 flat angles P-C4'-P energy: -96.609 tors. eta vs tors. theta energy: -192.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2309.167760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.167760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.167760 (E_RNA) where: Base-Base interactions energy: -1562.445 where: short stacking energy: -683.370 Base-Backbone interact. energy: -1.033 local terms energy: -745.689409 where: bonds (distance) C4'-P energy: -135.557 bonds (distance) P-C4' energy: -133.551 flat angles C4'-P-C4' energy: -156.526 flat angles P-C4'-P energy: -109.371 tors. eta vs tors. theta energy: -210.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2331.084468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.084468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.084468 (E_RNA) where: Base-Base interactions energy: -1630.743 where: short stacking energy: -677.066 Base-Backbone interact. energy: -1.758 local terms energy: -698.584097 where: bonds (distance) C4'-P energy: -142.656 bonds (distance) P-C4' energy: -121.614 flat angles C4'-P-C4' energy: -136.334 flat angles P-C4'-P energy: -101.181 tors. eta vs tors. theta energy: -196.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1941.308309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.308309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.308309 (E_RNA) where: Base-Base interactions energy: -1301.067 where: short stacking energy: -573.685 Base-Backbone interact. energy: 4.830 local terms energy: -645.071060 where: bonds (distance) C4'-P energy: -128.635 bonds (distance) P-C4' energy: -133.462 flat angles C4'-P-C4' energy: -137.938 flat angles P-C4'-P energy: -94.672 tors. eta vs tors. theta energy: -150.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1728.714864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.714864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.714864 (E_RNA) where: Base-Base interactions energy: -1145.398 where: short stacking energy: -506.349 Base-Backbone interact. energy: -0.052 local terms energy: -583.265007 where: bonds (distance) C4'-P energy: -118.060 bonds (distance) P-C4' energy: -115.553 flat angles C4'-P-C4' energy: -139.666 flat angles P-C4'-P energy: -90.985 tors. eta vs tors. theta energy: -119.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1490.791558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.791558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.791558 (E_RNA) where: Base-Base interactions energy: -956.186 where: short stacking energy: -426.613 Base-Backbone interact. energy: -2.277 local terms energy: -532.328605 where: bonds (distance) C4'-P energy: -130.539 bonds (distance) P-C4' energy: -112.983 flat angles C4'-P-C4' energy: -132.669 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: -83.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -737.881880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.881880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.881880 (E_RNA) where: Base-Base interactions energy: -335.691 where: short stacking energy: -172.383 Base-Backbone interact. energy: 7.494 local terms energy: -409.685170 where: bonds (distance) C4'-P energy: -123.193 bonds (distance) P-C4' energy: -117.865 flat angles C4'-P-C4' energy: -111.407 flat angles P-C4'-P energy: -77.466 tors. eta vs tors. theta energy: 20.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -746.673432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.673432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.673432 (E_RNA) where: Base-Base interactions energy: -347.255 where: short stacking energy: -178.722 Base-Backbone interact. energy: 3.925 local terms energy: -403.342602 where: bonds (distance) C4'-P energy: -123.690 bonds (distance) P-C4' energy: -116.975 flat angles C4'-P-C4' energy: -108.040 flat angles P-C4'-P energy: -50.259 tors. eta vs tors. theta energy: -4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2649.982337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.982337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.982337 (E_RNA) where: Base-Base interactions energy: -1811.797 where: short stacking energy: -772.952 Base-Backbone interact. energy: -0.652 local terms energy: -837.533587 where: bonds (distance) C4'-P energy: -147.147 bonds (distance) P-C4' energy: -155.738 flat angles C4'-P-C4' energy: -175.741 flat angles P-C4'-P energy: -116.211 tors. eta vs tors. theta energy: -242.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2541.423093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.423093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.423093 (E_RNA) where: Base-Base interactions energy: -1755.505 where: short stacking energy: -777.279 Base-Backbone interact. energy: -3.228 local terms energy: -782.689791 where: bonds (distance) C4'-P energy: -131.797 bonds (distance) P-C4' energy: -142.990 flat angles C4'-P-C4' energy: -177.658 flat angles P-C4'-P energy: -106.302 tors. eta vs tors. theta energy: -223.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2412.047290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.047290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.047290 (E_RNA) where: Base-Base interactions energy: -1651.508 where: short stacking energy: -679.244 Base-Backbone interact. energy: -1.946 local terms energy: -758.593397 where: bonds (distance) C4'-P energy: -133.867 bonds (distance) P-C4' energy: -155.265 flat angles C4'-P-C4' energy: -158.711 flat angles P-C4'-P energy: -107.751 tors. eta vs tors. theta energy: -202.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2432.624049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.624049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.624049 (E_RNA) where: Base-Base interactions energy: -1698.621 where: short stacking energy: -707.442 Base-Backbone interact. energy: -1.186 local terms energy: -732.816642 where: bonds (distance) C4'-P energy: -140.372 bonds (distance) P-C4' energy: -128.687 flat angles C4'-P-C4' energy: -166.419 flat angles P-C4'-P energy: -100.886 tors. eta vs tors. theta energy: -196.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2267.104149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.104149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.104149 (E_RNA) where: Base-Base interactions energy: -1543.744 where: short stacking energy: -662.708 Base-Backbone interact. energy: 3.614 local terms energy: -726.974695 where: bonds (distance) C4'-P energy: -125.781 bonds (distance) P-C4' energy: -138.659 flat angles C4'-P-C4' energy: -162.634 flat angles P-C4'-P energy: -106.087 tors. eta vs tors. theta energy: -193.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1951.902072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.902072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.902072 (E_RNA) where: Base-Base interactions energy: -1349.874 where: short stacking energy: -523.024 Base-Backbone interact. energy: -2.357 local terms energy: -599.671162 where: bonds (distance) C4'-P energy: -107.964 bonds (distance) P-C4' energy: -119.482 flat angles C4'-P-C4' energy: -136.232 flat angles P-C4'-P energy: -103.803 tors. eta vs tors. theta energy: -132.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1676.745846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.745846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.745846 (E_RNA) where: Base-Base interactions energy: -1092.609 where: short stacking energy: -498.114 Base-Backbone interact. energy: 2.674 local terms energy: -586.810207 where: bonds (distance) C4'-P energy: -104.788 bonds (distance) P-C4' energy: -110.928 flat angles C4'-P-C4' energy: -123.379 flat angles P-C4'-P energy: -109.113 tors. eta vs tors. theta energy: -138.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1458.958569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.958569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.958569 (E_RNA) where: Base-Base interactions energy: -944.002 where: short stacking energy: -373.388 Base-Backbone interact. energy: 3.091 local terms energy: -518.047055 where: bonds (distance) C4'-P energy: -127.635 bonds (distance) P-C4' energy: -125.503 flat angles C4'-P-C4' energy: -120.846 flat angles P-C4'-P energy: -79.571 tors. eta vs tors. theta energy: -64.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -739.591227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.591227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.591227 (E_RNA) where: Base-Base interactions energy: -347.046 where: short stacking energy: -193.108 Base-Backbone interact. energy: -4.336 local terms energy: -388.209878 where: bonds (distance) C4'-P energy: -110.573 bonds (distance) P-C4' energy: -111.370 flat angles C4'-P-C4' energy: -124.070 flat angles P-C4'-P energy: -62.407 tors. eta vs tors. theta energy: 20.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -715.394663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.394663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.394663 (E_RNA) where: Base-Base interactions energy: -336.741 where: short stacking energy: -198.903 Base-Backbone interact. energy: 7.776 local terms energy: -386.429540 where: bonds (distance) C4'-P energy: -106.031 bonds (distance) P-C4' energy: -122.263 flat angles C4'-P-C4' energy: -129.409 flat angles P-C4'-P energy: -64.678 tors. eta vs tors. theta energy: 35.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2629.257341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.257341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.257341 (E_RNA) where: Base-Base interactions energy: -1851.833 where: short stacking energy: -786.058 Base-Backbone interact. energy: 1.872 local terms energy: -779.296684 where: bonds (distance) C4'-P energy: -143.048 bonds (distance) P-C4' energy: -147.247 flat angles C4'-P-C4' energy: -165.660 flat angles P-C4'-P energy: -106.434 tors. eta vs tors. theta energy: -216.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2529.287824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.287824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.287824 (E_RNA) where: Base-Base interactions energy: -1748.121 where: short stacking energy: -764.368 Base-Backbone interact. energy: -3.931 local terms energy: -777.235663 where: bonds (distance) C4'-P energy: -130.406 bonds (distance) P-C4' energy: -144.600 flat angles C4'-P-C4' energy: -165.888 flat angles P-C4'-P energy: -110.716 tors. eta vs tors. theta energy: -225.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2432.908651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.908651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.908651 (E_RNA) where: Base-Base interactions energy: -1703.667 where: short stacking energy: -738.266 Base-Backbone interact. energy: 3.402 local terms energy: -732.643864 where: bonds (distance) C4'-P energy: -123.462 bonds (distance) P-C4' energy: -134.554 flat angles C4'-P-C4' energy: -152.753 flat angles P-C4'-P energy: -104.264 tors. eta vs tors. theta energy: -217.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2375.538668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.538668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.538668 (E_RNA) where: Base-Base interactions energy: -1621.975 where: short stacking energy: -695.284 Base-Backbone interact. energy: -3.491 local terms energy: -750.072547 where: bonds (distance) C4'-P energy: -128.806 bonds (distance) P-C4' energy: -151.630 flat angles C4'-P-C4' energy: -168.766 flat angles P-C4'-P energy: -95.405 tors. eta vs tors. theta energy: -205.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2269.111610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.111610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.111610 (E_RNA) where: Base-Base interactions energy: -1541.841 where: short stacking energy: -680.273 Base-Backbone interact. energy: -2.209 local terms energy: -725.061911 where: bonds (distance) C4'-P energy: -142.691 bonds (distance) P-C4' energy: -133.757 flat angles C4'-P-C4' energy: -146.425 flat angles P-C4'-P energy: -98.990 tors. eta vs tors. theta energy: -203.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1932.834141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.834141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.834141 (E_RNA) where: Base-Base interactions energy: -1312.908 where: short stacking energy: -566.046 Base-Backbone interact. energy: 10.156 local terms energy: -630.081925 where: bonds (distance) C4'-P energy: -131.152 bonds (distance) P-C4' energy: -127.601 flat angles C4'-P-C4' energy: -149.780 flat angles P-C4'-P energy: -76.540 tors. eta vs tors. theta energy: -145.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1677.059008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.059008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.059008 (E_RNA) where: Base-Base interactions energy: -1100.394 where: short stacking energy: -474.627 Base-Backbone interact. energy: -1.957 local terms energy: -574.708638 where: bonds (distance) C4'-P energy: -118.543 bonds (distance) P-C4' energy: -124.008 flat angles C4'-P-C4' energy: -139.518 flat angles P-C4'-P energy: -87.876 tors. eta vs tors. theta energy: -104.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1366.825437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.825437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.825437 (E_RNA) where: Base-Base interactions energy: -860.194 where: short stacking energy: -380.370 Base-Backbone interact. energy: -1.972 local terms energy: -504.658971 where: bonds (distance) C4'-P energy: -126.491 bonds (distance) P-C4' energy: -130.130 flat angles C4'-P-C4' energy: -115.276 flat angles P-C4'-P energy: -70.688 tors. eta vs tors. theta energy: -62.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -763.024039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.024039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.024039 (E_RNA) where: Base-Base interactions energy: -368.640 where: short stacking energy: -231.576 Base-Backbone interact. energy: 7.949 local terms energy: -402.333485 where: bonds (distance) C4'-P energy: -115.862 bonds (distance) P-C4' energy: -120.836 flat angles C4'-P-C4' energy: -103.502 flat angles P-C4'-P energy: -56.300 tors. eta vs tors. theta energy: -5.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -751.546695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.546695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.546695 (E_RNA) where: Base-Base interactions energy: -358.539 where: short stacking energy: -231.796 Base-Backbone interact. energy: -0.136 local terms energy: -392.871782 where: bonds (distance) C4'-P energy: -103.174 bonds (distance) P-C4' energy: -136.356 flat angles C4'-P-C4' energy: -96.275 flat angles P-C4'-P energy: -64.958 tors. eta vs tors. theta energy: 7.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2645.181802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.181802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.181802 (E_RNA) where: Base-Base interactions energy: -1819.026 where: short stacking energy: -782.458 Base-Backbone interact. energy: -5.383 local terms energy: -820.772582 where: bonds (distance) C4'-P energy: -147.993 bonds (distance) P-C4' energy: -139.279 flat angles C4'-P-C4' energy: -179.765 flat angles P-C4'-P energy: -111.655 tors. eta vs tors. theta energy: -242.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2511.778862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.778862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.778862 (E_RNA) where: Base-Base interactions energy: -1736.745 where: short stacking energy: -735.582 Base-Backbone interact. energy: -2.992 local terms energy: -772.041863 where: bonds (distance) C4'-P energy: -139.697 bonds (distance) P-C4' energy: -149.058 flat angles C4'-P-C4' energy: -162.918 flat angles P-C4'-P energy: -101.873 tors. eta vs tors. theta energy: -218.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2398.924360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.924360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.924360 (E_RNA) where: Base-Base interactions energy: -1653.327 where: short stacking energy: -680.237 Base-Backbone interact. energy: 1.985 local terms energy: -747.582176 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -150.402 flat angles C4'-P-C4' energy: -169.793 flat angles P-C4'-P energy: -105.603 tors. eta vs tors. theta energy: -191.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2343.093238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.093238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.093238 (E_RNA) where: Base-Base interactions energy: -1602.490 where: short stacking energy: -704.074 Base-Backbone interact. energy: -4.537 local terms energy: -736.065527 where: bonds (distance) C4'-P energy: -147.072 bonds (distance) P-C4' energy: -136.933 flat angles C4'-P-C4' energy: -153.304 flat angles P-C4'-P energy: -91.047 tors. eta vs tors. theta energy: -207.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2238.670912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.670912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.670912 (E_RNA) where: Base-Base interactions energy: -1544.396 where: short stacking energy: -675.609 Base-Backbone interact. energy: -0.439 local terms energy: -693.835872 where: bonds (distance) C4'-P energy: -118.522 bonds (distance) P-C4' energy: -128.908 flat angles C4'-P-C4' energy: -147.180 flat angles P-C4'-P energy: -105.677 tors. eta vs tors. theta energy: -193.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1904.939952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.939952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.939952 (E_RNA) where: Base-Base interactions energy: -1282.522 where: short stacking energy: -548.149 Base-Backbone interact. energy: -2.236 local terms energy: -620.181828 where: bonds (distance) C4'-P energy: -134.116 bonds (distance) P-C4' energy: -123.834 flat angles C4'-P-C4' energy: -140.612 flat angles P-C4'-P energy: -79.041 tors. eta vs tors. theta energy: -142.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1723.853011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.853011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.853011 (E_RNA) where: Base-Base interactions energy: -1121.594 where: short stacking energy: -498.239 Base-Backbone interact. energy: 0.723 local terms energy: -602.981884 where: bonds (distance) C4'-P energy: -126.550 bonds (distance) P-C4' energy: -137.928 flat angles C4'-P-C4' energy: -140.588 flat angles P-C4'-P energy: -89.136 tors. eta vs tors. theta energy: -108.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1325.705345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.705345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.705345 (E_RNA) where: Base-Base interactions energy: -814.308 where: short stacking energy: -402.626 Base-Backbone interact. energy: -3.465 local terms energy: -507.931602 where: bonds (distance) C4'-P energy: -130.955 bonds (distance) P-C4' energy: -123.788 flat angles C4'-P-C4' energy: -124.845 flat angles P-C4'-P energy: -62.998 tors. eta vs tors. theta energy: -65.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -812.481582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.481582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.481582 (E_RNA) where: Base-Base interactions energy: -402.564 where: short stacking energy: -220.289 Base-Backbone interact. energy: -1.360 local terms energy: -408.557930 where: bonds (distance) C4'-P energy: -119.438 bonds (distance) P-C4' energy: -129.995 flat angles C4'-P-C4' energy: -110.911 flat angles P-C4'-P energy: -49.868 tors. eta vs tors. theta energy: 1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -707.958180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.958180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.958180 (E_RNA) where: Base-Base interactions energy: -329.659 where: short stacking energy: -206.837 Base-Backbone interact. energy: 9.795 local terms energy: -388.093711 where: bonds (distance) C4'-P energy: -120.643 bonds (distance) P-C4' energy: -125.823 flat angles C4'-P-C4' energy: -103.238 flat angles P-C4'-P energy: -46.992 tors. eta vs tors. theta energy: 8.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2652.330667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.330667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.330667 (E_RNA) where: Base-Base interactions energy: -1833.190 where: short stacking energy: -790.447 Base-Backbone interact. energy: -0.165 local terms energy: -818.976221 where: bonds (distance) C4'-P energy: -145.571 bonds (distance) P-C4' energy: -157.259 flat angles C4'-P-C4' energy: -172.681 flat angles P-C4'-P energy: -112.945 tors. eta vs tors. theta energy: -230.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2535.821179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.821179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.821179 (E_RNA) where: Base-Base interactions energy: -1740.098 where: short stacking energy: -761.714 Base-Backbone interact. energy: -4.127 local terms energy: -791.595887 where: bonds (distance) C4'-P energy: -134.453 bonds (distance) P-C4' energy: -152.178 flat angles C4'-P-C4' energy: -159.994 flat angles P-C4'-P energy: -119.265 tors. eta vs tors. theta energy: -225.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2412.273197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.273197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.273197 (E_RNA) where: Base-Base interactions energy: -1676.230 where: short stacking energy: -725.074 Base-Backbone interact. energy: -0.273 local terms energy: -735.769750 where: bonds (distance) C4'-P energy: -137.014 bonds (distance) P-C4' energy: -130.582 flat angles C4'-P-C4' energy: -166.458 flat angles P-C4'-P energy: -93.947 tors. eta vs tors. theta energy: -207.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2318.530999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.530999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.530999 (E_RNA) where: Base-Base interactions energy: -1572.553 where: short stacking energy: -631.386 Base-Backbone interact. energy: -3.569 local terms energy: -742.408789 where: bonds (distance) C4'-P energy: -131.697 bonds (distance) P-C4' energy: -146.824 flat angles C4'-P-C4' energy: -153.145 flat angles P-C4'-P energy: -117.527 tors. eta vs tors. theta energy: -193.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2255.950794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.950794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.950794 (E_RNA) where: Base-Base interactions energy: -1542.573 where: short stacking energy: -668.868 Base-Backbone interact. energy: 3.982 local terms energy: -717.359849 where: bonds (distance) C4'-P energy: -123.804 bonds (distance) P-C4' energy: -137.401 flat angles C4'-P-C4' energy: -154.877 flat angles P-C4'-P energy: -106.768 tors. eta vs tors. theta energy: -194.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1907.018744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.018744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.018744 (E_RNA) where: Base-Base interactions energy: -1247.953 where: short stacking energy: -540.412 Base-Backbone interact. energy: -1.636 local terms energy: -657.429781 where: bonds (distance) C4'-P energy: -153.226 bonds (distance) P-C4' energy: -140.339 flat angles C4'-P-C4' energy: -124.285 flat angles P-C4'-P energy: -91.230 tors. eta vs tors. theta energy: -148.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1639.962115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.962115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.962115 (E_RNA) where: Base-Base interactions energy: -1049.075 where: short stacking energy: -450.043 Base-Backbone interact. energy: -5.217 local terms energy: -585.670525 where: bonds (distance) C4'-P energy: -125.826 bonds (distance) P-C4' energy: -127.369 flat angles C4'-P-C4' energy: -124.098 flat angles P-C4'-P energy: -98.863 tors. eta vs tors. theta energy: -109.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1323.658048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.658048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.658048 (E_RNA) where: Base-Base interactions energy: -797.381 where: short stacking energy: -357.036 Base-Backbone interact. energy: -0.536 local terms energy: -525.740414 where: bonds (distance) C4'-P energy: -133.281 bonds (distance) P-C4' energy: -129.075 flat angles C4'-P-C4' energy: -107.702 flat angles P-C4'-P energy: -77.793 tors. eta vs tors. theta energy: -77.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -841.742143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.742143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.742143 (E_RNA) where: Base-Base interactions energy: -413.584 where: short stacking energy: -233.801 Base-Backbone interact. energy: 8.266 local terms energy: -436.424276 where: bonds (distance) C4'-P energy: -120.432 bonds (distance) P-C4' energy: -116.240 flat angles C4'-P-C4' energy: -113.925 flat angles P-C4'-P energy: -77.199 tors. eta vs tors. theta energy: -8.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -767.426895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.426895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.426895 (E_RNA) where: Base-Base interactions energy: -359.709 where: short stacking energy: -196.204 Base-Backbone interact. energy: 1.127 local terms energy: -408.844796 where: bonds (distance) C4'-P energy: -96.874 bonds (distance) P-C4' energy: -139.273 flat angles C4'-P-C4' energy: -121.803 flat angles P-C4'-P energy: -66.059 tors. eta vs tors. theta energy: 15.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2652.469875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.469875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.469875 (E_RNA) where: Base-Base interactions energy: -1816.316 where: short stacking energy: -763.373 Base-Backbone interact. energy: -0.023 local terms energy: -836.131135 where: bonds (distance) C4'-P energy: -148.971 bonds (distance) P-C4' energy: -160.307 flat angles C4'-P-C4' energy: -172.122 flat angles P-C4'-P energy: -126.336 tors. eta vs tors. theta energy: -228.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2521.335583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.335583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.335583 (E_RNA) where: Base-Base interactions energy: -1723.869 where: short stacking energy: -746.173 Base-Backbone interact. energy: -2.810 local terms energy: -794.656514 where: bonds (distance) C4'-P energy: -137.856 bonds (distance) P-C4' energy: -143.482 flat angles C4'-P-C4' energy: -170.186 flat angles P-C4'-P energy: -113.317 tors. eta vs tors. theta energy: -229.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2443.920205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.920205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.920205 (E_RNA) where: Base-Base interactions energy: -1660.984 where: short stacking energy: -715.388 Base-Backbone interact. energy: -4.352 local terms energy: -778.584396 where: bonds (distance) C4'-P energy: -152.220 bonds (distance) P-C4' energy: -150.868 flat angles C4'-P-C4' energy: -158.973 flat angles P-C4'-P energy: -102.713 tors. eta vs tors. theta energy: -213.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2359.800234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.800234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.800234 (E_RNA) where: Base-Base interactions energy: -1648.281 where: short stacking energy: -678.715 Base-Backbone interact. energy: -3.666 local terms energy: -707.852806 where: bonds (distance) C4'-P energy: -132.004 bonds (distance) P-C4' energy: -138.814 flat angles C4'-P-C4' energy: -142.254 flat angles P-C4'-P energy: -106.993 tors. eta vs tors. theta energy: -187.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2204.048162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.048162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.048162 (E_RNA) where: Base-Base interactions energy: -1485.832 where: short stacking energy: -621.828 Base-Backbone interact. energy: -3.202 local terms energy: -715.014838 where: bonds (distance) C4'-P energy: -133.044 bonds (distance) P-C4' energy: -136.315 flat angles C4'-P-C4' energy: -161.083 flat angles P-C4'-P energy: -102.168 tors. eta vs tors. theta energy: -182.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2002.195670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.195670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.195670 (E_RNA) where: Base-Base interactions energy: -1365.495 where: short stacking energy: -560.929 Base-Backbone interact. energy: 0.448 local terms energy: -637.149143 where: bonds (distance) C4'-P energy: -119.121 bonds (distance) P-C4' energy: -127.923 flat angles C4'-P-C4' energy: -158.224 flat angles P-C4'-P energy: -89.354 tors. eta vs tors. theta energy: -142.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1599.299560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.299560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.299560 (E_RNA) where: Base-Base interactions energy: -1036.329 where: short stacking energy: -456.680 Base-Backbone interact. energy: -2.189 local terms energy: -560.781439 where: bonds (distance) C4'-P energy: -128.543 bonds (distance) P-C4' energy: -134.773 flat angles C4'-P-C4' energy: -124.941 flat angles P-C4'-P energy: -80.471 tors. eta vs tors. theta energy: -92.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1293.078071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.078071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.078071 (E_RNA) where: Base-Base interactions energy: -770.062 where: short stacking energy: -353.932 Base-Backbone interact. energy: 5.803 local terms energy: -528.819003 where: bonds (distance) C4'-P energy: -132.565 bonds (distance) P-C4' energy: -148.943 flat angles C4'-P-C4' energy: -121.431 flat angles P-C4'-P energy: -64.389 tors. eta vs tors. theta energy: -61.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -850.713797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.713797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.713797 (E_RNA) where: Base-Base interactions energy: -418.334 where: short stacking energy: -267.278 Base-Backbone interact. energy: -0.489 local terms energy: -431.891167 where: bonds (distance) C4'-P energy: -115.992 bonds (distance) P-C4' energy: -129.684 flat angles C4'-P-C4' energy: -112.475 flat angles P-C4'-P energy: -70.229 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -745.418451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.418451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.418451 (E_RNA) where: Base-Base interactions energy: -354.413 where: short stacking energy: -206.614 Base-Backbone interact. energy: 0.604 local terms energy: -391.609562 where: bonds (distance) C4'-P energy: -125.170 bonds (distance) P-C4' energy: -108.242 flat angles C4'-P-C4' energy: -110.758 flat angles P-C4'-P energy: -50.417 tors. eta vs tors. theta energy: 2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2630.900633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.900633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.900633 (E_RNA) where: Base-Base interactions energy: -1815.887 where: short stacking energy: -756.258 Base-Backbone interact. energy: -6.861 local terms energy: -808.152154 where: bonds (distance) C4'-P energy: -147.902 bonds (distance) P-C4' energy: -156.553 flat angles C4'-P-C4' energy: -162.550 flat angles P-C4'-P energy: -112.764 tors. eta vs tors. theta energy: -228.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2511.773325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.773325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.773325 (E_RNA) where: Base-Base interactions energy: -1714.063 where: short stacking energy: -752.130 Base-Backbone interact. energy: -3.150 local terms energy: -794.560047 where: bonds (distance) C4'-P energy: -139.376 bonds (distance) P-C4' energy: -151.977 flat angles C4'-P-C4' energy: -170.858 flat angles P-C4'-P energy: -116.429 tors. eta vs tors. theta energy: -215.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2445.493293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.493293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.493293 (E_RNA) where: Base-Base interactions energy: -1682.778 where: short stacking energy: -740.393 Base-Backbone interact. energy: 2.900 local terms energy: -765.615285 where: bonds (distance) C4'-P energy: -144.995 bonds (distance) P-C4' energy: -142.823 flat angles C4'-P-C4' energy: -161.241 flat angles P-C4'-P energy: -108.453 tors. eta vs tors. theta energy: -208.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2304.932180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.932180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.932180 (E_RNA) where: Base-Base interactions energy: -1572.516 where: short stacking energy: -650.910 Base-Backbone interact. energy: -2.849 local terms energy: -729.567412 where: bonds (distance) C4'-P energy: -140.834 bonds (distance) P-C4' energy: -137.612 flat angles C4'-P-C4' energy: -156.740 flat angles P-C4'-P energy: -107.390 tors. eta vs tors. theta energy: -186.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2188.828270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.828270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.828270 (E_RNA) where: Base-Base interactions energy: -1512.040 where: short stacking energy: -630.205 Base-Backbone interact. energy: -0.076 local terms energy: -676.711692 where: bonds (distance) C4'-P energy: -117.505 bonds (distance) P-C4' energy: -137.154 flat angles C4'-P-C4' energy: -147.034 flat angles P-C4'-P energy: -95.516 tors. eta vs tors. theta energy: -179.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2001.478022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.478022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.478022 (E_RNA) where: Base-Base interactions energy: -1349.926 where: short stacking energy: -576.827 Base-Backbone interact. energy: -2.305 local terms energy: -649.246919 where: bonds (distance) C4'-P energy: -137.378 bonds (distance) P-C4' energy: -136.346 flat angles C4'-P-C4' energy: -137.943 flat angles P-C4'-P energy: -89.439 tors. eta vs tors. theta energy: -148.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1545.291644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.291644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.291644 (E_RNA) where: Base-Base interactions energy: -994.943 where: short stacking energy: -434.690 Base-Backbone interact. energy: -1.884 local terms energy: -548.464475 where: bonds (distance) C4'-P energy: -114.023 bonds (distance) P-C4' energy: -139.010 flat angles C4'-P-C4' energy: -126.356 flat angles P-C4'-P energy: -88.194 tors. eta vs tors. theta energy: -80.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1328.363131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.363131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.363131 (E_RNA) where: Base-Base interactions energy: -817.859 where: short stacking energy: -387.716 Base-Backbone interact. energy: -1.389 local terms energy: -509.114530 where: bonds (distance) C4'-P energy: -115.995 bonds (distance) P-C4' energy: -130.940 flat angles C4'-P-C4' energy: -122.638 flat angles P-C4'-P energy: -69.220 tors. eta vs tors. theta energy: -70.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -881.726877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.726877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.726877 (E_RNA) where: Base-Base interactions energy: -465.020 where: short stacking energy: -240.298 Base-Backbone interact. energy: 1.945 local terms energy: -418.652433 where: bonds (distance) C4'-P energy: -111.110 bonds (distance) P-C4' energy: -132.906 flat angles C4'-P-C4' energy: -118.328 flat angles P-C4'-P energy: -57.459 tors. eta vs tors. theta energy: 1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -794.813653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.813653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.813653 (E_RNA) where: Base-Base interactions energy: -365.919 where: short stacking energy: -226.640 Base-Backbone interact. energy: -0.573 local terms energy: -428.321608 where: bonds (distance) C4'-P energy: -118.924 bonds (distance) P-C4' energy: -133.391 flat angles C4'-P-C4' energy: -114.363 flat angles P-C4'-P energy: -47.401 tors. eta vs tors. theta energy: -14.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2651.676920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.676920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.676920 (E_RNA) where: Base-Base interactions energy: -1828.927 where: short stacking energy: -767.164 Base-Backbone interact. energy: -1.410 local terms energy: -821.339964 where: bonds (distance) C4'-P energy: -139.624 bonds (distance) P-C4' energy: -149.066 flat angles C4'-P-C4' energy: -177.285 flat angles P-C4'-P energy: -121.120 tors. eta vs tors. theta energy: -234.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2519.721322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.721322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.721322 (E_RNA) where: Base-Base interactions energy: -1727.535 where: short stacking energy: -770.336 Base-Backbone interact. energy: -5.862 local terms energy: -786.325036 where: bonds (distance) C4'-P energy: -133.379 bonds (distance) P-C4' energy: -141.312 flat angles C4'-P-C4' energy: -161.236 flat angles P-C4'-P energy: -119.771 tors. eta vs tors. theta energy: -230.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2469.993466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.993466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.993466 (E_RNA) where: Base-Base interactions energy: -1681.830 where: short stacking energy: -716.395 Base-Backbone interact. energy: -0.258 local terms energy: -787.905942 where: bonds (distance) C4'-P energy: -156.680 bonds (distance) P-C4' energy: -141.241 flat angles C4'-P-C4' energy: -166.016 flat angles P-C4'-P energy: -117.252 tors. eta vs tors. theta energy: -206.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2313.742797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.742797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.742797 (E_RNA) where: Base-Base interactions energy: -1590.610 where: short stacking energy: -637.425 Base-Backbone interact. energy: -5.086 local terms energy: -718.046413 where: bonds (distance) C4'-P energy: -145.917 bonds (distance) P-C4' energy: -143.474 flat angles C4'-P-C4' energy: -157.145 flat angles P-C4'-P energy: -98.582 tors. eta vs tors. theta energy: -172.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2206.943769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.943769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.943769 (E_RNA) where: Base-Base interactions energy: -1499.936 where: short stacking energy: -610.429 Base-Backbone interact. energy: -3.934 local terms energy: -703.073561 where: bonds (distance) C4'-P energy: -150.386 bonds (distance) P-C4' energy: -140.403 flat angles C4'-P-C4' energy: -146.731 flat angles P-C4'-P energy: -86.425 tors. eta vs tors. theta energy: -179.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1877.106840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.106840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.106840 (E_RNA) where: Base-Base interactions energy: -1240.032 where: short stacking energy: -542.219 Base-Backbone interact. energy: -1.796 local terms energy: -635.279054 where: bonds (distance) C4'-P energy: -138.601 bonds (distance) P-C4' energy: -121.761 flat angles C4'-P-C4' energy: -143.371 flat angles P-C4'-P energy: -88.201 tors. eta vs tors. theta energy: -143.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1564.339525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.339525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.339525 (E_RNA) where: Base-Base interactions energy: -1021.783 where: short stacking energy: -448.183 Base-Backbone interact. energy: -0.185 local terms energy: -542.371295 where: bonds (distance) C4'-P energy: -112.187 bonds (distance) P-C4' energy: -117.237 flat angles C4'-P-C4' energy: -130.078 flat angles P-C4'-P energy: -83.562 tors. eta vs tors. theta energy: -99.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1302.067725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.067725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.067725 (E_RNA) where: Base-Base interactions energy: -785.608 where: short stacking energy: -412.442 Base-Backbone interact. energy: -3.054 local terms energy: -513.405786 where: bonds (distance) C4'-P energy: -127.107 bonds (distance) P-C4' energy: -116.795 flat angles C4'-P-C4' energy: -104.466 flat angles P-C4'-P energy: -82.568 tors. eta vs tors. theta energy: -82.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -952.175594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.175594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.175594 (E_RNA) where: Base-Base interactions energy: -513.560 where: short stacking energy: -272.744 Base-Backbone interact. energy: -2.738 local terms energy: -435.877537 where: bonds (distance) C4'-P energy: -110.895 bonds (distance) P-C4' energy: -140.568 flat angles C4'-P-C4' energy: -117.838 flat angles P-C4'-P energy: -48.810 tors. eta vs tors. theta energy: -17.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -716.429264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.429264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.429264 (E_RNA) where: Base-Base interactions energy: -327.372 where: short stacking energy: -201.904 Base-Backbone interact. energy: 3.059 local terms energy: -392.115986 where: bonds (distance) C4'-P energy: -110.270 bonds (distance) P-C4' energy: -132.313 flat angles C4'-P-C4' energy: -90.999 flat angles P-C4'-P energy: -59.893 tors. eta vs tors. theta energy: 1.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2659.959797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.959797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.959797 (E_RNA) where: Base-Base interactions energy: -1839.565 where: short stacking energy: -780.194 Base-Backbone interact. energy: -3.478 local terms energy: -816.917397 where: bonds (distance) C4'-P energy: -140.231 bonds (distance) P-C4' energy: -163.710 flat angles C4'-P-C4' energy: -169.897 flat angles P-C4'-P energy: -112.600 tors. eta vs tors. theta energy: -230.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2507.716792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.716792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.716792 (E_RNA) where: Base-Base interactions energy: -1713.894 where: short stacking energy: -756.608 Base-Backbone interact. energy: -6.122 local terms energy: -787.700767 where: bonds (distance) C4'-P energy: -150.889 bonds (distance) P-C4' energy: -141.370 flat angles C4'-P-C4' energy: -157.475 flat angles P-C4'-P energy: -111.040 tors. eta vs tors. theta energy: -226.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2428.185482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.185482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.185482 (E_RNA) where: Base-Base interactions energy: -1672.140 where: short stacking energy: -709.295 Base-Backbone interact. energy: -1.458 local terms energy: -754.587887 where: bonds (distance) C4'-P energy: -121.548 bonds (distance) P-C4' energy: -147.656 flat angles C4'-P-C4' energy: -169.125 flat angles P-C4'-P energy: -98.225 tors. eta vs tors. theta energy: -218.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2307.651385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.651385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.651385 (E_RNA) where: Base-Base interactions energy: -1575.910 where: short stacking energy: -647.586 Base-Backbone interact. energy: -4.092 local terms energy: -727.649830 where: bonds (distance) C4'-P energy: -141.085 bonds (distance) P-C4' energy: -139.875 flat angles C4'-P-C4' energy: -162.103 flat angles P-C4'-P energy: -92.656 tors. eta vs tors. theta energy: -191.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2237.772560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.772560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.772560 (E_RNA) where: Base-Base interactions energy: -1512.036 where: short stacking energy: -677.379 Base-Backbone interact. energy: 0.401 local terms energy: -726.137262 where: bonds (distance) C4'-P energy: -139.264 bonds (distance) P-C4' energy: -142.238 flat angles C4'-P-C4' energy: -146.042 flat angles P-C4'-P energy: -104.260 tors. eta vs tors. theta energy: -194.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1911.033637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.033637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.033637 (E_RNA) where: Base-Base interactions energy: -1302.600 where: short stacking energy: -549.300 Base-Backbone interact. energy: -1.245 local terms energy: -607.188775 where: bonds (distance) C4'-P energy: -118.853 bonds (distance) P-C4' energy: -138.835 flat angles C4'-P-C4' energy: -140.598 flat angles P-C4'-P energy: -79.840 tors. eta vs tors. theta energy: -129.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1559.267075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.267075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.267075 (E_RNA) where: Base-Base interactions energy: -1010.558 where: short stacking energy: -429.889 Base-Backbone interact. energy: -2.431 local terms energy: -546.277948 where: bonds (distance) C4'-P energy: -129.944 bonds (distance) P-C4' energy: -125.867 flat angles C4'-P-C4' energy: -120.047 flat angles P-C4'-P energy: -86.549 tors. eta vs tors. theta energy: -83.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1275.637206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.637206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.637206 (E_RNA) where: Base-Base interactions energy: -784.999 where: short stacking energy: -387.660 Base-Backbone interact. energy: -1.338 local terms energy: -489.300030 where: bonds (distance) C4'-P energy: -125.273 bonds (distance) P-C4' energy: -129.641 flat angles C4'-P-C4' energy: -111.911 flat angles P-C4'-P energy: -61.156 tors. eta vs tors. theta energy: -61.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -929.111029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.111029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.111029 (E_RNA) where: Base-Base interactions energy: -473.776 where: short stacking energy: -263.914 Base-Backbone interact. energy: -1.974 local terms energy: -453.360939 where: bonds (distance) C4'-P energy: -113.661 bonds (distance) P-C4' energy: -130.704 flat angles C4'-P-C4' energy: -115.630 flat angles P-C4'-P energy: -77.571 tors. eta vs tors. theta energy: -15.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -760.015928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.015928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.015928 (E_RNA) where: Base-Base interactions energy: -342.365 where: short stacking energy: -207.444 Base-Backbone interact. energy: 0.217 local terms energy: -417.867757 where: bonds (distance) C4'-P energy: -121.151 bonds (distance) P-C4' energy: -136.404 flat angles C4'-P-C4' energy: -108.965 flat angles P-C4'-P energy: -63.657 tors. eta vs tors. theta energy: 12.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2639.129271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.129271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.129271 (E_RNA) where: Base-Base interactions energy: -1855.201 where: short stacking energy: -758.243 Base-Backbone interact. energy: -0.794 local terms energy: -783.134549 where: bonds (distance) C4'-P energy: -145.921 bonds (distance) P-C4' energy: -135.973 flat angles C4'-P-C4' energy: -170.294 flat angles P-C4'-P energy: -98.012 tors. eta vs tors. theta energy: -232.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2523.085584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.085584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.085584 (E_RNA) where: Base-Base interactions energy: -1718.815 where: short stacking energy: -743.551 Base-Backbone interact. energy: -1.366 local terms energy: -802.904143 where: bonds (distance) C4'-P energy: -154.149 bonds (distance) P-C4' energy: -151.917 flat angles C4'-P-C4' energy: -168.878 flat angles P-C4'-P energy: -104.433 tors. eta vs tors. theta energy: -223.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2457.975109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.975109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.975109 (E_RNA) where: Base-Base interactions energy: -1686.374 where: short stacking energy: -722.428 Base-Backbone interact. energy: 1.602 local terms energy: -773.203298 where: bonds (distance) C4'-P energy: -129.035 bonds (distance) P-C4' energy: -145.431 flat angles C4'-P-C4' energy: -165.723 flat angles P-C4'-P energy: -117.286 tors. eta vs tors. theta energy: -215.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2280.625857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.625857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.625857 (E_RNA) where: Base-Base interactions energy: -1577.485 where: short stacking energy: -673.478 Base-Backbone interact. energy: -2.712 local terms energy: -700.429474 where: bonds (distance) C4'-P energy: -120.289 bonds (distance) P-C4' energy: -150.345 flat angles C4'-P-C4' energy: -153.123 flat angles P-C4'-P energy: -89.685 tors. eta vs tors. theta energy: -186.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2237.118822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.118822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.118822 (E_RNA) where: Base-Base interactions energy: -1549.203 where: short stacking energy: -633.015 Base-Backbone interact. energy: -3.413 local terms energy: -684.501998 where: bonds (distance) C4'-P energy: -133.824 bonds (distance) P-C4' energy: -125.554 flat angles C4'-P-C4' energy: -144.708 flat angles P-C4'-P energy: -85.092 tors. eta vs tors. theta energy: -195.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1890.024431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.024431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.024431 (E_RNA) where: Base-Base interactions energy: -1264.328 where: short stacking energy: -547.554 Base-Backbone interact. energy: 0.402 local terms energy: -626.098714 where: bonds (distance) C4'-P energy: -124.500 bonds (distance) P-C4' energy: -131.131 flat angles C4'-P-C4' energy: -140.576 flat angles P-C4'-P energy: -88.261 tors. eta vs tors. theta energy: -141.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1561.437052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.437052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.437052 (E_RNA) where: Base-Base interactions energy: -983.809 where: short stacking energy: -455.334 Base-Backbone interact. energy: -0.906 local terms energy: -576.721556 where: bonds (distance) C4'-P energy: -138.395 bonds (distance) P-C4' energy: -142.225 flat angles C4'-P-C4' energy: -135.577 flat angles P-C4'-P energy: -73.365 tors. eta vs tors. theta energy: -87.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1426.921180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.921180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.921180 (E_RNA) where: Base-Base interactions energy: -878.589 where: short stacking energy: -397.462 Base-Backbone interact. energy: 0.079 local terms energy: -548.410251 where: bonds (distance) C4'-P energy: -126.755 bonds (distance) P-C4' energy: -126.814 flat angles C4'-P-C4' energy: -132.142 flat angles P-C4'-P energy: -88.156 tors. eta vs tors. theta energy: -74.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -945.543441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.543441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.543441 (E_RNA) where: Base-Base interactions energy: -520.597 where: short stacking energy: -284.213 Base-Backbone interact. energy: -0.712 local terms energy: -424.234616 where: bonds (distance) C4'-P energy: -95.600 bonds (distance) P-C4' energy: -140.411 flat angles C4'-P-C4' energy: -102.388 flat angles P-C4'-P energy: -50.239 tors. eta vs tors. theta energy: -35.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -832.652094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.652094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.652094 (E_RNA) where: Base-Base interactions energy: -425.058 where: short stacking energy: -238.523 Base-Backbone interact. energy: 0.454 local terms energy: -408.047898 where: bonds (distance) C4'-P energy: -119.937 bonds (distance) P-C4' energy: -122.572 flat angles C4'-P-C4' energy: -100.568 flat angles P-C4'-P energy: -65.858 tors. eta vs tors. theta energy: 0.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2641.754816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.754816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.754816 (E_RNA) where: Base-Base interactions energy: -1838.253 where: short stacking energy: -772.228 Base-Backbone interact. energy: -0.728 local terms energy: -802.773690 where: bonds (distance) C4'-P energy: -155.058 bonds (distance) P-C4' energy: -149.953 flat angles C4'-P-C4' energy: -171.614 flat angles P-C4'-P energy: -112.180 tors. eta vs tors. theta energy: -213.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2528.291938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.291938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.291938 (E_RNA) where: Base-Base interactions energy: -1746.952 where: short stacking energy: -780.587 Base-Backbone interact. energy: -4.065 local terms energy: -777.275184 where: bonds (distance) C4'-P energy: -126.918 bonds (distance) P-C4' energy: -140.120 flat angles C4'-P-C4' energy: -173.600 flat angles P-C4'-P energy: -109.313 tors. eta vs tors. theta energy: -227.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2451.803724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.803724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.803724 (E_RNA) where: Base-Base interactions energy: -1683.229 where: short stacking energy: -715.547 Base-Backbone interact. energy: 2.311 local terms energy: -770.885946 where: bonds (distance) C4'-P energy: -136.913 bonds (distance) P-C4' energy: -150.452 flat angles C4'-P-C4' energy: -154.180 flat angles P-C4'-P energy: -110.263 tors. eta vs tors. theta energy: -219.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2317.686936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.686936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.686936 (E_RNA) where: Base-Base interactions energy: -1612.183 where: short stacking energy: -679.796 Base-Backbone interact. energy: -0.616 local terms energy: -704.887437 where: bonds (distance) C4'-P energy: -146.241 bonds (distance) P-C4' energy: -132.219 flat angles C4'-P-C4' energy: -151.812 flat angles P-C4'-P energy: -83.213 tors. eta vs tors. theta energy: -191.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2204.877860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.877860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.877860 (E_RNA) where: Base-Base interactions energy: -1476.865 where: short stacking energy: -624.064 Base-Backbone interact. energy: 1.337 local terms energy: -729.350293 where: bonds (distance) C4'-P energy: -130.230 bonds (distance) P-C4' energy: -144.375 flat angles C4'-P-C4' energy: -151.713 flat angles P-C4'-P energy: -106.200 tors. eta vs tors. theta energy: -196.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1901.511974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.511974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.511974 (E_RNA) where: Base-Base interactions energy: -1233.554 where: short stacking energy: -537.028 Base-Backbone interact. energy: -1.394 local terms energy: -666.563710 where: bonds (distance) C4'-P energy: -144.143 bonds (distance) P-C4' energy: -137.214 flat angles C4'-P-C4' energy: -144.984 flat angles P-C4'-P energy: -97.385 tors. eta vs tors. theta energy: -142.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1622.113117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.113117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.113117 (E_RNA) where: Base-Base interactions energy: -1082.353 where: short stacking energy: -469.439 Base-Backbone interact. energy: -0.992 local terms energy: -538.768320 where: bonds (distance) C4'-P energy: -113.814 bonds (distance) P-C4' energy: -101.850 flat angles C4'-P-C4' energy: -123.848 flat angles P-C4'-P energy: -92.038 tors. eta vs tors. theta energy: -107.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1432.184795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.184795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.184795 (E_RNA) where: Base-Base interactions energy: -926.953 where: short stacking energy: -423.207 Base-Backbone interact. energy: -1.284 local terms energy: -503.947774 where: bonds (distance) C4'-P energy: -111.205 bonds (distance) P-C4' energy: -117.922 flat angles C4'-P-C4' energy: -104.856 flat angles P-C4'-P energy: -73.651 tors. eta vs tors. theta energy: -96.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -955.312725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.312725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.312725 (E_RNA) where: Base-Base interactions energy: -531.104 where: short stacking energy: -272.445 Base-Backbone interact. energy: -3.381 local terms energy: -420.827933 where: bonds (distance) C4'-P energy: -115.271 bonds (distance) P-C4' energy: -130.551 flat angles C4'-P-C4' energy: -89.802 flat angles P-C4'-P energy: -68.297 tors. eta vs tors. theta energy: -16.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -823.966692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.966692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.966692 (E_RNA) where: Base-Base interactions energy: -430.311 where: short stacking energy: -242.698 Base-Backbone interact. energy: 5.383 local terms energy: -399.038528 where: bonds (distance) C4'-P energy: -119.832 bonds (distance) P-C4' energy: -122.561 flat angles C4'-P-C4' energy: -112.742 flat angles P-C4'-P energy: -50.287 tors. eta vs tors. theta energy: 6.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2673.334178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.334178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.334178 (E_RNA) where: Base-Base interactions energy: -1843.321 where: short stacking energy: -771.532 Base-Backbone interact. energy: -1.230 local terms energy: -828.783090 where: bonds (distance) C4'-P energy: -156.472 bonds (distance) P-C4' energy: -160.679 flat angles C4'-P-C4' energy: -180.690 flat angles P-C4'-P energy: -108.827 tors. eta vs tors. theta energy: -222.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2570.793666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.793666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.793666 (E_RNA) where: Base-Base interactions energy: -1759.682 where: short stacking energy: -788.649 Base-Backbone interact. energy: -2.379 local terms energy: -808.731826 where: bonds (distance) C4'-P energy: -122.824 bonds (distance) P-C4' energy: -147.067 flat angles C4'-P-C4' energy: -172.284 flat angles P-C4'-P energy: -128.694 tors. eta vs tors. theta energy: -237.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2440.467203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.467203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.467203 (E_RNA) where: Base-Base interactions energy: -1665.706 where: short stacking energy: -715.446 Base-Backbone interact. energy: -2.145 local terms energy: -772.615789 where: bonds (distance) C4'-P energy: -131.564 bonds (distance) P-C4' energy: -144.206 flat angles C4'-P-C4' energy: -165.032 flat angles P-C4'-P energy: -114.965 tors. eta vs tors. theta energy: -216.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2313.497730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.497730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.497730 (E_RNA) where: Base-Base interactions energy: -1600.174 where: short stacking energy: -677.689 Base-Backbone interact. energy: -2.393 local terms energy: -710.930179 where: bonds (distance) C4'-P energy: -132.244 bonds (distance) P-C4' energy: -139.195 flat angles C4'-P-C4' energy: -156.832 flat angles P-C4'-P energy: -100.849 tors. eta vs tors. theta energy: -181.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2134.958264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.958264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.958264 (E_RNA) where: Base-Base interactions energy: -1487.661 where: short stacking energy: -620.941 Base-Backbone interact. energy: -2.394 local terms energy: -644.903312 where: bonds (distance) C4'-P energy: -109.397 bonds (distance) P-C4' energy: -127.919 flat angles C4'-P-C4' energy: -151.851 flat angles P-C4'-P energy: -90.164 tors. eta vs tors. theta energy: -165.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1951.491278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.491278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.491278 (E_RNA) where: Base-Base interactions energy: -1306.587 where: short stacking energy: -590.969 Base-Backbone interact. energy: 1.092 local terms energy: -645.996904 where: bonds (distance) C4'-P energy: -119.574 bonds (distance) P-C4' energy: -123.213 flat angles C4'-P-C4' energy: -147.057 flat angles P-C4'-P energy: -100.381 tors. eta vs tors. theta energy: -155.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1717.083666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.083666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.083666 (E_RNA) where: Base-Base interactions energy: -1086.131 where: short stacking energy: -470.865 Base-Backbone interact. energy: -4.461 local terms energy: -626.492171 where: bonds (distance) C4'-P energy: -132.857 bonds (distance) P-C4' energy: -116.842 flat angles C4'-P-C4' energy: -160.321 flat angles P-C4'-P energy: -107.291 tors. eta vs tors. theta energy: -109.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1409.780789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.780789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.780789 (E_RNA) where: Base-Base interactions energy: -902.398 where: short stacking energy: -420.158 Base-Backbone interact. energy: 1.300 local terms energy: -508.683180 where: bonds (distance) C4'-P energy: -132.251 bonds (distance) P-C4' energy: -107.607 flat angles C4'-P-C4' energy: -128.914 flat angles P-C4'-P energy: -63.757 tors. eta vs tors. theta energy: -76.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -989.067876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.067876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.067876 (E_RNA) where: Base-Base interactions energy: -577.003 where: short stacking energy: -302.217 Base-Backbone interact. energy: 3.743 local terms energy: -415.808456 where: bonds (distance) C4'-P energy: -112.668 bonds (distance) P-C4' energy: -121.211 flat angles C4'-P-C4' energy: -105.881 flat angles P-C4'-P energy: -52.447 tors. eta vs tors. theta energy: -23.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -742.079139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.079139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.079139 (E_RNA) where: Base-Base interactions energy: -334.525 where: short stacking energy: -180.918 Base-Backbone interact. energy: 3.929 local terms energy: -411.483311 where: bonds (distance) C4'-P energy: -109.383 bonds (distance) P-C4' energy: -138.330 flat angles C4'-P-C4' energy: -114.858 flat angles P-C4'-P energy: -70.375 tors. eta vs tors. theta energy: 21.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2641.518138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.518138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.518138 (E_RNA) where: Base-Base interactions energy: -1850.983 where: short stacking energy: -766.935 Base-Backbone interact. energy: -3.631 local terms energy: -786.903808 where: bonds (distance) C4'-P energy: -150.341 bonds (distance) P-C4' energy: -142.262 flat angles C4'-P-C4' energy: -172.256 flat angles P-C4'-P energy: -100.014 tors. eta vs tors. theta energy: -222.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2529.359114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.359114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.359114 (E_RNA) where: Base-Base interactions energy: -1727.210 where: short stacking energy: -761.916 Base-Backbone interact. energy: -3.897 local terms energy: -798.251477 where: bonds (distance) C4'-P energy: -137.849 bonds (distance) P-C4' energy: -152.818 flat angles C4'-P-C4' energy: -166.662 flat angles P-C4'-P energy: -101.592 tors. eta vs tors. theta energy: -239.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2482.256340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.256340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.256340 (E_RNA) where: Base-Base interactions energy: -1739.837 where: short stacking energy: -724.717 Base-Backbone interact. energy: -3.752 local terms energy: -738.667336 where: bonds (distance) C4'-P energy: -127.652 bonds (distance) P-C4' energy: -157.760 flat angles C4'-P-C4' energy: -150.773 flat angles P-C4'-P energy: -103.441 tors. eta vs tors. theta energy: -199.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2332.098011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.098011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.098011 (E_RNA) where: Base-Base interactions energy: -1602.108 where: short stacking energy: -667.108 Base-Backbone interact. energy: 0.153 local terms energy: -730.142544 where: bonds (distance) C4'-P energy: -139.603 bonds (distance) P-C4' energy: -147.400 flat angles C4'-P-C4' energy: -145.173 flat angles P-C4'-P energy: -113.443 tors. eta vs tors. theta energy: -184.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2175.800422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.800422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.800422 (E_RNA) where: Base-Base interactions energy: -1464.501 where: short stacking energy: -642.377 Base-Backbone interact. energy: 0.183 local terms energy: -711.482438 where: bonds (distance) C4'-P energy: -134.249 bonds (distance) P-C4' energy: -145.446 flat angles C4'-P-C4' energy: -149.780 flat angles P-C4'-P energy: -91.928 tors. eta vs tors. theta energy: -190.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1935.533437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.533437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.533437 (E_RNA) where: Base-Base interactions energy: -1280.091 where: short stacking energy: -525.416 Base-Backbone interact. energy: -1.541 local terms energy: -653.900814 where: bonds (distance) C4'-P energy: -133.821 bonds (distance) P-C4' energy: -136.698 flat angles C4'-P-C4' energy: -132.172 flat angles P-C4'-P energy: -99.553 tors. eta vs tors. theta energy: -151.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1730.126842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.126842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.126842 (E_RNA) where: Base-Base interactions energy: -1144.227 where: short stacking energy: -484.867 Base-Backbone interact. energy: 0.997 local terms energy: -586.896995 where: bonds (distance) C4'-P energy: -130.068 bonds (distance) P-C4' energy: -133.156 flat angles C4'-P-C4' energy: -140.853 flat angles P-C4'-P energy: -63.622 tors. eta vs tors. theta energy: -119.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1497.093876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.093876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.093876 (E_RNA) where: Base-Base interactions energy: -997.297 where: short stacking energy: -460.204 Base-Backbone interact. energy: 3.836 local terms energy: -503.632798 where: bonds (distance) C4'-P energy: -98.856 bonds (distance) P-C4' energy: -95.016 flat angles C4'-P-C4' energy: -131.339 flat angles P-C4'-P energy: -76.011 tors. eta vs tors. theta energy: -102.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -962.424942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.424942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.424942 (E_RNA) where: Base-Base interactions energy: -542.418 where: short stacking energy: -266.965 Base-Backbone interact. energy: -2.607 local terms energy: -417.400026 where: bonds (distance) C4'-P energy: -120.704 bonds (distance) P-C4' energy: -137.110 flat angles C4'-P-C4' energy: -89.262 flat angles P-C4'-P energy: -47.011 tors. eta vs tors. theta energy: -23.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -814.609968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.609968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.609968 (E_RNA) where: Base-Base interactions energy: -419.560 where: short stacking energy: -222.075 Base-Backbone interact. energy: 0.003 local terms energy: -395.053359 where: bonds (distance) C4'-P energy: -113.422 bonds (distance) P-C4' energy: -126.397 flat angles C4'-P-C4' energy: -105.775 flat angles P-C4'-P energy: -62.271 tors. eta vs tors. theta energy: 12.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2664.160279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.160279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.160279 (E_RNA) where: Base-Base interactions energy: -1833.476 where: short stacking energy: -752.373 Base-Backbone interact. energy: -1.786 local terms energy: -828.899044 where: bonds (distance) C4'-P energy: -144.823 bonds (distance) P-C4' energy: -150.276 flat angles C4'-P-C4' energy: -183.628 flat angles P-C4'-P energy: -122.666 tors. eta vs tors. theta energy: -227.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2531.014087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.014087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.014087 (E_RNA) where: Base-Base interactions energy: -1751.994 where: short stacking energy: -774.585 Base-Backbone interact. energy: -3.278 local terms energy: -775.742457 where: bonds (distance) C4'-P energy: -132.799 bonds (distance) P-C4' energy: -149.393 flat angles C4'-P-C4' energy: -154.502 flat angles P-C4'-P energy: -112.262 tors. eta vs tors. theta energy: -226.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2512.754623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.754623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.754623 (E_RNA) where: Base-Base interactions energy: -1746.997 where: short stacking energy: -733.018 Base-Backbone interact. energy: -3.063 local terms energy: -762.694071 where: bonds (distance) C4'-P energy: -141.658 bonds (distance) P-C4' energy: -136.896 flat angles C4'-P-C4' energy: -158.352 flat angles P-C4'-P energy: -103.898 tors. eta vs tors. theta energy: -221.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2312.366147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.366147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.366147 (E_RNA) where: Base-Base interactions energy: -1581.330 where: short stacking energy: -627.737 Base-Backbone interact. energy: 5.305 local terms energy: -736.340781 where: bonds (distance) C4'-P energy: -142.894 bonds (distance) P-C4' energy: -156.047 flat angles C4'-P-C4' energy: -155.728 flat angles P-C4'-P energy: -104.697 tors. eta vs tors. theta energy: -176.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2238.367983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.367983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.367983 (E_RNA) where: Base-Base interactions energy: -1540.841 where: short stacking energy: -636.290 Base-Backbone interact. energy: -0.676 local terms energy: -696.850956 where: bonds (distance) C4'-P energy: -132.098 bonds (distance) P-C4' energy: -116.375 flat angles C4'-P-C4' energy: -148.269 flat angles P-C4'-P energy: -104.667 tors. eta vs tors. theta energy: -195.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1965.471354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.471354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.471354 (E_RNA) where: Base-Base interactions energy: -1300.384 where: short stacking energy: -582.236 Base-Backbone interact. energy: 1.698 local terms energy: -666.784950 where: bonds (distance) C4'-P energy: -113.508 bonds (distance) P-C4' energy: -130.385 flat angles C4'-P-C4' energy: -152.674 flat angles P-C4'-P energy: -98.653 tors. eta vs tors. theta energy: -171.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1663.606737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.606737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.606737 (E_RNA) where: Base-Base interactions energy: -1097.103 where: short stacking energy: -488.041 Base-Backbone interact. energy: -2.861 local terms energy: -563.642948 where: bonds (distance) C4'-P energy: -122.083 bonds (distance) P-C4' energy: -122.147 flat angles C4'-P-C4' energy: -134.578 flat angles P-C4'-P energy: -74.921 tors. eta vs tors. theta energy: -109.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1437.777269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.777269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.777269 (E_RNA) where: Base-Base interactions energy: -917.677 where: short stacking energy: -426.121 Base-Backbone interact. energy: -0.889 local terms energy: -519.210937 where: bonds (distance) C4'-P energy: -129.854 bonds (distance) P-C4' energy: -125.596 flat angles C4'-P-C4' energy: -122.731 flat angles P-C4'-P energy: -61.395 tors. eta vs tors. theta energy: -79.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -976.019710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.019710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.019710 (E_RNA) where: Base-Base interactions energy: -548.639 where: short stacking energy: -270.480 Base-Backbone interact. energy: 0.068 local terms energy: -427.449425 where: bonds (distance) C4'-P energy: -130.656 bonds (distance) P-C4' energy: -130.362 flat angles C4'-P-C4' energy: -113.408 flat angles P-C4'-P energy: -55.269 tors. eta vs tors. theta energy: 2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -859.206646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.206646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.206646 (E_RNA) where: Base-Base interactions energy: -446.039 where: short stacking energy: -246.426 Base-Backbone interact. energy: 4.643 local terms energy: -417.810815 where: bonds (distance) C4'-P energy: -111.914 bonds (distance) P-C4' energy: -131.371 flat angles C4'-P-C4' energy: -104.557 flat angles P-C4'-P energy: -50.233 tors. eta vs tors. theta energy: -19.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2627.738161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.738161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.738161 (E_RNA) where: Base-Base interactions energy: -1801.249 where: short stacking energy: -740.623 Base-Backbone interact. energy: -3.050 local terms energy: -823.439503 where: bonds (distance) C4'-P energy: -152.415 bonds (distance) P-C4' energy: -159.939 flat angles C4'-P-C4' energy: -172.212 flat angles P-C4'-P energy: -108.829 tors. eta vs tors. theta energy: -230.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2537.564450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.564450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.564450 (E_RNA) where: Base-Base interactions energy: -1755.626 where: short stacking energy: -754.623 Base-Backbone interact. energy: -4.082 local terms energy: -777.857019 where: bonds (distance) C4'-P energy: -126.674 bonds (distance) P-C4' energy: -150.315 flat angles C4'-P-C4' energy: -163.318 flat angles P-C4'-P energy: -112.214 tors. eta vs tors. theta energy: -225.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2438.300039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.300039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.300039 (E_RNA) where: Base-Base interactions energy: -1691.530 where: short stacking energy: -727.268 Base-Backbone interact. energy: -2.698 local terms energy: -744.071806 where: bonds (distance) C4'-P energy: -123.172 bonds (distance) P-C4' energy: -123.203 flat angles C4'-P-C4' energy: -169.438 flat angles P-C4'-P energy: -104.292 tors. eta vs tors. theta energy: -223.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2335.730221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.730221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.730221 (E_RNA) where: Base-Base interactions energy: -1603.859 where: short stacking energy: -673.482 Base-Backbone interact. energy: -1.796 local terms energy: -730.075266 where: bonds (distance) C4'-P energy: -141.558 bonds (distance) P-C4' energy: -134.908 flat angles C4'-P-C4' energy: -165.070 flat angles P-C4'-P energy: -92.865 tors. eta vs tors. theta energy: -195.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2215.024274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.024274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.024274 (E_RNA) where: Base-Base interactions energy: -1498.109 where: short stacking energy: -655.807 Base-Backbone interact. energy: -1.394 local terms energy: -715.521339 where: bonds (distance) C4'-P energy: -98.688 bonds (distance) P-C4' energy: -147.337 flat angles C4'-P-C4' energy: -163.819 flat angles P-C4'-P energy: -101.669 tors. eta vs tors. theta energy: -204.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1948.148625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.148625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.148625 (E_RNA) where: Base-Base interactions energy: -1337.531 where: short stacking energy: -575.772 Base-Backbone interact. energy: 0.335 local terms energy: -610.952124 where: bonds (distance) C4'-P energy: -116.608 bonds (distance) P-C4' energy: -127.757 flat angles C4'-P-C4' energy: -129.394 flat angles P-C4'-P energy: -98.860 tors. eta vs tors. theta energy: -138.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1628.146530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.146530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.146530 (E_RNA) where: Base-Base interactions energy: -1037.119 where: short stacking energy: -472.475 Base-Backbone interact. energy: 0.032 local terms energy: -591.059292 where: bonds (distance) C4'-P energy: -113.924 bonds (distance) P-C4' energy: -131.626 flat angles C4'-P-C4' energy: -147.550 flat angles P-C4'-P energy: -94.810 tors. eta vs tors. theta energy: -103.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1439.623813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.623813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.623813 (E_RNA) where: Base-Base interactions energy: -910.128 where: short stacking energy: -409.837 Base-Backbone interact. energy: 4.354 local terms energy: -533.849823 where: bonds (distance) C4'-P energy: -109.959 bonds (distance) P-C4' energy: -136.124 flat angles C4'-P-C4' energy: -132.211 flat angles P-C4'-P energy: -82.378 tors. eta vs tors. theta energy: -73.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1045.471901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.471901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.471901 (E_RNA) where: Base-Base interactions energy: -617.155 where: short stacking energy: -310.698 Base-Backbone interact. energy: 5.943 local terms energy: -434.260380 where: bonds (distance) C4'-P energy: -121.432 bonds (distance) P-C4' energy: -114.739 flat angles C4'-P-C4' energy: -112.270 flat angles P-C4'-P energy: -58.999 tors. eta vs tors. theta energy: -26.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -796.097182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.097182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.097182 (E_RNA) where: Base-Base interactions energy: -385.687 where: short stacking energy: -220.466 Base-Backbone interact. energy: 0.540 local terms energy: -410.949995 where: bonds (distance) C4'-P energy: -112.840 bonds (distance) P-C4' energy: -129.724 flat angles C4'-P-C4' energy: -102.144 flat angles P-C4'-P energy: -66.604 tors. eta vs tors. theta energy: 0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2652.507367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.507367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.507367 (E_RNA) where: Base-Base interactions energy: -1839.751 where: short stacking energy: -769.313 Base-Backbone interact. energy: 0.119 local terms energy: -812.874594 where: bonds (distance) C4'-P energy: -143.103 bonds (distance) P-C4' energy: -148.392 flat angles C4'-P-C4' energy: -170.595 flat angles P-C4'-P energy: -125.199 tors. eta vs tors. theta energy: -225.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2536.213916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.213916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.213916 (E_RNA) where: Base-Base interactions energy: -1756.040 where: short stacking energy: -754.496 Base-Backbone interact. energy: -1.631 local terms energy: -778.542559 where: bonds (distance) C4'-P energy: -132.062 bonds (distance) P-C4' energy: -139.106 flat angles C4'-P-C4' energy: -176.745 flat angles P-C4'-P energy: -102.334 tors. eta vs tors. theta energy: -228.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2443.111845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.111845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.111845 (E_RNA) where: Base-Base interactions energy: -1704.585 where: short stacking energy: -728.987 Base-Backbone interact. energy: -1.403 local terms energy: -737.123645 where: bonds (distance) C4'-P energy: -128.080 bonds (distance) P-C4' energy: -137.650 flat angles C4'-P-C4' energy: -154.318 flat angles P-C4'-P energy: -108.309 tors. eta vs tors. theta energy: -208.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2298.309258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.309258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.309258 (E_RNA) where: Base-Base interactions energy: -1590.060 where: short stacking energy: -651.099 Base-Backbone interact. energy: 0.258 local terms energy: -708.507329 where: bonds (distance) C4'-P energy: -140.966 bonds (distance) P-C4' energy: -130.678 flat angles C4'-P-C4' energy: -155.232 flat angles P-C4'-P energy: -100.050 tors. eta vs tors. theta energy: -181.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2210.230434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.230434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.230434 (E_RNA) where: Base-Base interactions energy: -1476.604 where: short stacking energy: -637.585 Base-Backbone interact. energy: 1.172 local terms energy: -734.798378 where: bonds (distance) C4'-P energy: -134.022 bonds (distance) P-C4' energy: -140.117 flat angles C4'-P-C4' energy: -162.198 flat angles P-C4'-P energy: -110.229 tors. eta vs tors. theta energy: -188.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1982.505297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.505297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.505297 (E_RNA) where: Base-Base interactions energy: -1339.853 where: short stacking energy: -599.771 Base-Backbone interact. energy: 0.744 local terms energy: -643.396271 where: bonds (distance) C4'-P energy: -114.584 bonds (distance) P-C4' energy: -132.810 flat angles C4'-P-C4' energy: -139.734 flat angles P-C4'-P energy: -105.690 tors. eta vs tors. theta energy: -150.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1623.371502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.371502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.371502 (E_RNA) where: Base-Base interactions energy: -1036.296 where: short stacking energy: -466.835 Base-Backbone interact. energy: -1.316 local terms energy: -585.760366 where: bonds (distance) C4'-P energy: -127.814 bonds (distance) P-C4' energy: -146.868 flat angles C4'-P-C4' energy: -130.290 flat angles P-C4'-P energy: -79.068 tors. eta vs tors. theta energy: -101.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1455.508391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.508391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.508391 (E_RNA) where: Base-Base interactions energy: -940.745 where: short stacking energy: -404.971 Base-Backbone interact. energy: 0.175 local terms energy: -514.938163 where: bonds (distance) C4'-P energy: -134.364 bonds (distance) P-C4' energy: -112.435 flat angles C4'-P-C4' energy: -128.779 flat angles P-C4'-P energy: -70.569 tors. eta vs tors. theta energy: -68.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1014.603316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.603316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.603316 (E_RNA) where: Base-Base interactions energy: -592.349 where: short stacking energy: -284.768 Base-Backbone interact. energy: 5.395 local terms energy: -427.649278 where: bonds (distance) C4'-P energy: -116.437 bonds (distance) P-C4' energy: -111.627 flat angles C4'-P-C4' energy: -112.133 flat angles P-C4'-P energy: -73.700 tors. eta vs tors. theta energy: -13.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -787.695182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.695182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.695182 (E_RNA) where: Base-Base interactions energy: -395.189 where: short stacking energy: -208.669 Base-Backbone interact. energy: 2.315 local terms energy: -394.820714 where: bonds (distance) C4'-P energy: -118.564 bonds (distance) P-C4' energy: -122.326 flat angles C4'-P-C4' energy: -96.976 flat angles P-C4'-P energy: -50.918 tors. eta vs tors. theta energy: -6.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2645.881626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.881626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.881626 (E_RNA) where: Base-Base interactions energy: -1845.518 where: short stacking energy: -759.437 Base-Backbone interact. energy: -0.486 local terms energy: -799.878345 where: bonds (distance) C4'-P energy: -151.663 bonds (distance) P-C4' energy: -147.729 flat angles C4'-P-C4' energy: -170.925 flat angles P-C4'-P energy: -113.943 tors. eta vs tors. theta energy: -215.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2551.178301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.178301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.178301 (E_RNA) where: Base-Base interactions energy: -1753.526 where: short stacking energy: -761.590 Base-Backbone interact. energy: -4.926 local terms energy: -792.726793 where: bonds (distance) C4'-P energy: -133.908 bonds (distance) P-C4' energy: -148.470 flat angles C4'-P-C4' energy: -172.262 flat angles P-C4'-P energy: -104.744 tors. eta vs tors. theta energy: -233.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2463.759545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.759545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.759545 (E_RNA) where: Base-Base interactions energy: -1712.801 where: short stacking energy: -725.794 Base-Backbone interact. energy: -0.348 local terms energy: -750.610429 where: bonds (distance) C4'-P energy: -133.091 bonds (distance) P-C4' energy: -149.043 flat angles C4'-P-C4' energy: -161.648 flat angles P-C4'-P energy: -89.373 tors. eta vs tors. theta energy: -217.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2352.419546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.419546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.419546 (E_RNA) where: Base-Base interactions energy: -1623.219 where: short stacking energy: -667.278 Base-Backbone interact. energy: -1.645 local terms energy: -727.555630 where: bonds (distance) C4'-P energy: -140.099 bonds (distance) P-C4' energy: -123.972 flat angles C4'-P-C4' energy: -160.887 flat angles P-C4'-P energy: -109.685 tors. eta vs tors. theta energy: -192.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2138.994610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.994610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.994610 (E_RNA) where: Base-Base interactions energy: -1418.821 where: short stacking energy: -596.835 Base-Backbone interact. energy: -2.598 local terms energy: -717.576199 where: bonds (distance) C4'-P energy: -123.853 bonds (distance) P-C4' energy: -159.581 flat angles C4'-P-C4' energy: -164.556 flat angles P-C4'-P energy: -89.024 tors. eta vs tors. theta energy: -180.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1990.570464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.570464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.570464 (E_RNA) where: Base-Base interactions energy: -1341.189 where: short stacking energy: -578.867 Base-Backbone interact. energy: -1.004 local terms energy: -648.377270 where: bonds (distance) C4'-P energy: -121.784 bonds (distance) P-C4' energy: -135.374 flat angles C4'-P-C4' energy: -144.285 flat angles P-C4'-P energy: -93.942 tors. eta vs tors. theta energy: -152.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1629.226396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.226396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.226396 (E_RNA) where: Base-Base interactions energy: -1065.444 where: short stacking energy: -466.389 Base-Backbone interact. energy: 2.928 local terms energy: -566.710009 where: bonds (distance) C4'-P energy: -121.502 bonds (distance) P-C4' energy: -139.295 flat angles C4'-P-C4' energy: -132.754 flat angles P-C4'-P energy: -79.501 tors. eta vs tors. theta energy: -93.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1405.692081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.692081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.692081 (E_RNA) where: Base-Base interactions energy: -883.480 where: short stacking energy: -404.447 Base-Backbone interact. energy: 5.069 local terms energy: -527.281610 where: bonds (distance) C4'-P energy: -116.174 bonds (distance) P-C4' energy: -128.245 flat angles C4'-P-C4' energy: -135.320 flat angles P-C4'-P energy: -64.733 tors. eta vs tors. theta energy: -82.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1064.754627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.754627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.754627 (E_RNA) where: Base-Base interactions energy: -626.609 where: short stacking energy: -333.971 Base-Backbone interact. energy: 2.570 local terms energy: -440.715522 where: bonds (distance) C4'-P energy: -118.619 bonds (distance) P-C4' energy: -107.301 flat angles C4'-P-C4' energy: -104.763 flat angles P-C4'-P energy: -76.595 tors. eta vs tors. theta energy: -33.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -775.335606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.335606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.335606 (E_RNA) where: Base-Base interactions energy: -377.141 where: short stacking energy: -229.320 Base-Backbone interact. energy: -0.683 local terms energy: -397.512454 where: bonds (distance) C4'-P energy: -113.929 bonds (distance) P-C4' energy: -130.228 flat angles C4'-P-C4' energy: -114.894 flat angles P-C4'-P energy: -52.587 tors. eta vs tors. theta energy: 14.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2637.481590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.481590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.481590 (E_RNA) where: Base-Base interactions energy: -1819.646 where: short stacking energy: -757.683 Base-Backbone interact. energy: -2.389 local terms energy: -815.447350 where: bonds (distance) C4'-P energy: -144.183 bonds (distance) P-C4' energy: -155.657 flat angles C4'-P-C4' energy: -169.874 flat angles P-C4'-P energy: -118.794 tors. eta vs tors. theta energy: -226.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2541.815495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.815495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.815495 (E_RNA) where: Base-Base interactions energy: -1745.816 where: short stacking energy: -777.329 Base-Backbone interact. energy: -3.156 local terms energy: -792.842989 where: bonds (distance) C4'-P energy: -135.490 bonds (distance) P-C4' energy: -143.581 flat angles C4'-P-C4' energy: -161.125 flat angles P-C4'-P energy: -120.392 tors. eta vs tors. theta energy: -232.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2479.633875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.633875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.633875 (E_RNA) where: Base-Base interactions energy: -1724.942 where: short stacking energy: -751.918 Base-Backbone interact. energy: 1.299 local terms energy: -755.990056 where: bonds (distance) C4'-P energy: -131.584 bonds (distance) P-C4' energy: -145.429 flat angles C4'-P-C4' energy: -167.777 flat angles P-C4'-P energy: -97.216 tors. eta vs tors. theta energy: -213.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2368.176414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.176414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.176414 (E_RNA) where: Base-Base interactions energy: -1647.587 where: short stacking energy: -666.394 Base-Backbone interact. energy: -3.867 local terms energy: -716.722012 where: bonds (distance) C4'-P energy: -142.316 bonds (distance) P-C4' energy: -132.209 flat angles C4'-P-C4' energy: -157.029 flat angles P-C4'-P energy: -96.715 tors. eta vs tors. theta energy: -188.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2175.941863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.941863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.941863 (E_RNA) where: Base-Base interactions energy: -1464.111 where: short stacking energy: -616.275 Base-Backbone interact. energy: -0.756 local terms energy: -711.075447 where: bonds (distance) C4'-P energy: -134.221 bonds (distance) P-C4' energy: -140.051 flat angles C4'-P-C4' energy: -154.820 flat angles P-C4'-P energy: -99.301 tors. eta vs tors. theta energy: -182.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2012.301097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.301097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.301097 (E_RNA) where: Base-Base interactions energy: -1385.733 where: short stacking energy: -584.776 Base-Backbone interact. energy: 0.842 local terms energy: -627.409390 where: bonds (distance) C4'-P energy: -125.243 bonds (distance) P-C4' energy: -123.350 flat angles C4'-P-C4' energy: -148.746 flat angles P-C4'-P energy: -83.454 tors. eta vs tors. theta energy: -146.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1642.486792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.486792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.486792 (E_RNA) where: Base-Base interactions energy: -1090.274 where: short stacking energy: -467.122 Base-Backbone interact. energy: 6.829 local terms energy: -559.042400 where: bonds (distance) C4'-P energy: -114.932 bonds (distance) P-C4' energy: -131.032 flat angles C4'-P-C4' energy: -146.754 flat angles P-C4'-P energy: -69.733 tors. eta vs tors. theta energy: -96.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1435.983653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.983653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.983653 (E_RNA) where: Base-Base interactions energy: -946.173 where: short stacking energy: -409.008 Base-Backbone interact. energy: -3.836 local terms energy: -485.974862 where: bonds (distance) C4'-P energy: -120.386 bonds (distance) P-C4' energy: -117.169 flat angles C4'-P-C4' energy: -120.581 flat angles P-C4'-P energy: -63.126 tors. eta vs tors. theta energy: -64.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1116.915646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.915646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.915646 (E_RNA) where: Base-Base interactions energy: -654.878 where: short stacking energy: -331.679 Base-Backbone interact. energy: -3.939 local terms energy: -458.098379 where: bonds (distance) C4'-P energy: -125.003 bonds (distance) P-C4' energy: -125.736 flat angles C4'-P-C4' energy: -115.756 flat angles P-C4'-P energy: -69.725 tors. eta vs tors. theta energy: -21.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -743.690073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.690073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.690073 (E_RNA) where: Base-Base interactions energy: -358.156 where: short stacking energy: -199.349 Base-Backbone interact. energy: 0.278 local terms energy: -385.812194 where: bonds (distance) C4'-P energy: -134.847 bonds (distance) P-C4' energy: -136.269 flat angles C4'-P-C4' energy: -76.437 flat angles P-C4'-P energy: -62.660 tors. eta vs tors. theta energy: 24.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2631.397381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.397381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.397381 (E_RNA) where: Base-Base interactions energy: -1787.860 where: short stacking energy: -820.296 Base-Backbone interact. energy: -1.218 local terms energy: -842.318581 where: bonds (distance) C4'-P energy: -145.294 bonds (distance) P-C4' energy: -149.238 flat angles C4'-P-C4' energy: -179.481 flat angles P-C4'-P energy: -116.179 tors. eta vs tors. theta energy: -252.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2620.011433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.011433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.011433 (E_RNA) where: Base-Base interactions energy: -1827.565 where: short stacking energy: -746.379 Base-Backbone interact. energy: 0.108 local terms energy: -792.554355 where: bonds (distance) C4'-P energy: -142.352 bonds (distance) P-C4' energy: -147.243 flat angles C4'-P-C4' energy: -166.305 flat angles P-C4'-P energy: -116.144 tors. eta vs tors. theta energy: -220.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2429.768799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.768799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.768799 (E_RNA) where: Base-Base interactions energy: -1679.365 where: short stacking energy: -697.807 Base-Backbone interact. energy: -0.978 local terms energy: -749.425916 where: bonds (distance) C4'-P energy: -156.625 bonds (distance) P-C4' energy: -136.032 flat angles C4'-P-C4' energy: -161.008 flat angles P-C4'-P energy: -102.721 tors. eta vs tors. theta energy: -193.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2382.300851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.300851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.300851 (E_RNA) where: Base-Base interactions energy: -1620.844 where: short stacking energy: -695.765 Base-Backbone interact. energy: -5.120 local terms energy: -756.337013 where: bonds (distance) C4'-P energy: -133.163 bonds (distance) P-C4' energy: -144.975 flat angles C4'-P-C4' energy: -154.612 flat angles P-C4'-P energy: -103.928 tors. eta vs tors. theta energy: -219.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2133.017466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.017466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.017466 (E_RNA) where: Base-Base interactions energy: -1461.574 where: short stacking energy: -598.892 Base-Backbone interact. energy: -2.200 local terms energy: -669.243491 where: bonds (distance) C4'-P energy: -123.356 bonds (distance) P-C4' energy: -123.467 flat angles C4'-P-C4' energy: -146.760 flat angles P-C4'-P energy: -98.111 tors. eta vs tors. theta energy: -177.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1879.738456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.738456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.738456 (E_RNA) where: Base-Base interactions energy: -1249.856 where: short stacking energy: -552.654 Base-Backbone interact. energy: -2.309 local terms energy: -627.573247 where: bonds (distance) C4'-P energy: -121.483 bonds (distance) P-C4' energy: -139.510 flat angles C4'-P-C4' energy: -137.419 flat angles P-C4'-P energy: -97.482 tors. eta vs tors. theta energy: -131.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1729.286534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.286534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.286534 (E_RNA) where: Base-Base interactions energy: -1163.071 where: short stacking energy: -506.500 Base-Backbone interact. energy: -0.264 local terms energy: -565.950637 where: bonds (distance) C4'-P energy: -108.810 bonds (distance) P-C4' energy: -131.600 flat angles C4'-P-C4' energy: -133.409 flat angles P-C4'-P energy: -64.176 tors. eta vs tors. theta energy: -127.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1476.231301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.231301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.231301 (E_RNA) where: Base-Base interactions energy: -913.700 where: short stacking energy: -411.912 Base-Backbone interact. energy: 0.075 local terms energy: -563.318914 where: bonds (distance) C4'-P energy: -133.255 bonds (distance) P-C4' energy: -117.870 flat angles C4'-P-C4' energy: -140.796 flat angles P-C4'-P energy: -68.187 tors. eta vs tors. theta energy: -103.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.713 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1120.436376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.436376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.436376 (E_RNA) where: Base-Base interactions energy: -687.400 where: short stacking energy: -310.117 Base-Backbone interact. energy: -3.916 local terms energy: -429.120935 where: bonds (distance) C4'-P energy: -116.347 bonds (distance) P-C4' energy: -106.428 flat angles C4'-P-C4' energy: -115.891 flat angles P-C4'-P energy: -57.451 tors. eta vs tors. theta energy: -33.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -811.286742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.286742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.286742 (E_RNA) where: Base-Base interactions energy: -460.553 where: short stacking energy: -259.506 Base-Backbone interact. energy: 3.371 local terms energy: -354.105378 where: bonds (distance) C4'-P energy: -102.327 bonds (distance) P-C4' energy: -116.733 flat angles C4'-P-C4' energy: -98.005 flat angles P-C4'-P energy: -50.169 tors. eta vs tors. theta energy: 13.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2600.408507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.408507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.408507 (E_RNA) where: Base-Base interactions energy: -1772.253 where: short stacking energy: -782.223 Base-Backbone interact. energy: -3.175 local terms energy: -824.980237 where: bonds (distance) C4'-P energy: -145.606 bonds (distance) P-C4' energy: -160.497 flat angles C4'-P-C4' energy: -168.522 flat angles P-C4'-P energy: -117.263 tors. eta vs tors. theta energy: -233.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2605.689816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.689816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.689816 (E_RNA) where: Base-Base interactions energy: -1817.117 where: short stacking energy: -750.041 Base-Backbone interact. energy: -1.863 local terms energy: -786.710556 where: bonds (distance) C4'-P energy: -148.434 bonds (distance) P-C4' energy: -154.495 flat angles C4'-P-C4' energy: -161.483 flat angles P-C4'-P energy: -104.941 tors. eta vs tors. theta energy: -217.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2472.130608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.130608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.130608 (E_RNA) where: Base-Base interactions energy: -1678.321 where: short stacking energy: -699.788 Base-Backbone interact. energy: -3.617 local terms energy: -790.193179 where: bonds (distance) C4'-P energy: -150.495 bonds (distance) P-C4' energy: -162.620 flat angles C4'-P-C4' energy: -163.882 flat angles P-C4'-P energy: -107.510 tors. eta vs tors. theta energy: -205.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2347.248261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.248261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.248261 (E_RNA) where: Base-Base interactions energy: -1625.078 where: short stacking energy: -710.269 Base-Backbone interact. energy: -3.305 local terms energy: -718.865196 where: bonds (distance) C4'-P energy: -132.420 bonds (distance) P-C4' energy: -124.022 flat angles C4'-P-C4' energy: -144.325 flat angles P-C4'-P energy: -117.082 tors. eta vs tors. theta energy: -201.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2160.133320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.133320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.133320 (E_RNA) where: Base-Base interactions energy: -1472.866 where: short stacking energy: -650.103 Base-Backbone interact. energy: 1.887 local terms energy: -689.154598 where: bonds (distance) C4'-P energy: -126.621 bonds (distance) P-C4' energy: -151.191 flat angles C4'-P-C4' energy: -137.815 flat angles P-C4'-P energy: -91.978 tors. eta vs tors. theta energy: -181.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1933.830222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.830222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.830222 (E_RNA) where: Base-Base interactions energy: -1323.380 where: short stacking energy: -563.291 Base-Backbone interact. energy: -0.546 local terms energy: -609.904334 where: bonds (distance) C4'-P energy: -118.774 bonds (distance) P-C4' energy: -134.194 flat angles C4'-P-C4' energy: -139.823 flat angles P-C4'-P energy: -73.538 tors. eta vs tors. theta energy: -143.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1759.068984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.068984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.068984 (E_RNA) where: Base-Base interactions energy: -1211.682 where: short stacking energy: -546.453 Base-Backbone interact. energy: 5.551 local terms energy: -552.938480 where: bonds (distance) C4'-P energy: -75.416 bonds (distance) P-C4' energy: -131.857 flat angles C4'-P-C4' energy: -139.075 flat angles P-C4'-P energy: -80.538 tors. eta vs tors. theta energy: -126.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1407.786575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.786575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.786575 (E_RNA) where: Base-Base interactions energy: -902.055 where: short stacking energy: -407.884 Base-Backbone interact. energy: -0.951 local terms energy: -504.780540 where: bonds (distance) C4'-P energy: -120.519 bonds (distance) P-C4' energy: -109.022 flat angles C4'-P-C4' energy: -127.183 flat angles P-C4'-P energy: -86.653 tors. eta vs tors. theta energy: -61.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1153.566752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.566752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.566752 (E_RNA) where: Base-Base interactions energy: -650.307 where: short stacking energy: -334.365 Base-Backbone interact. energy: -3.074 local terms energy: -500.185135 where: bonds (distance) C4'-P energy: -131.816 bonds (distance) P-C4' energy: -128.042 flat angles C4'-P-C4' energy: -122.153 flat angles P-C4'-P energy: -58.488 tors. eta vs tors. theta energy: -59.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -767.558558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.558558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.558558 (E_RNA) where: Base-Base interactions energy: -363.681 where: short stacking energy: -185.936 Base-Backbone interact. energy: 2.563 local terms energy: -406.440515 where: bonds (distance) C4'-P energy: -123.533 bonds (distance) P-C4' energy: -123.135 flat angles C4'-P-C4' energy: -115.391 flat angles P-C4'-P energy: -64.514 tors. eta vs tors. theta energy: 20.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2649.918044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.918044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.918044 (E_RNA) where: Base-Base interactions energy: -1839.025 where: short stacking energy: -777.759 Base-Backbone interact. energy: -1.550 local terms energy: -809.342500 where: bonds (distance) C4'-P energy: -146.368 bonds (distance) P-C4' energy: -155.046 flat angles C4'-P-C4' energy: -175.714 flat angles P-C4'-P energy: -102.176 tors. eta vs tors. theta energy: -230.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2517.150990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.150990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.150990 (E_RNA) where: Base-Base interactions energy: -1726.936 where: short stacking energy: -774.298 Base-Backbone interact. energy: -3.013 local terms energy: -787.201573 where: bonds (distance) C4'-P energy: -140.576 bonds (distance) P-C4' energy: -149.118 flat angles C4'-P-C4' energy: -163.559 flat angles P-C4'-P energy: -108.041 tors. eta vs tors. theta energy: -225.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2458.641656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.641656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.641656 (E_RNA) where: Base-Base interactions energy: -1724.847 where: short stacking energy: -715.254 Base-Backbone interact. energy: -2.084 local terms energy: -731.711319 where: bonds (distance) C4'-P energy: -139.438 bonds (distance) P-C4' energy: -142.380 flat angles C4'-P-C4' energy: -149.981 flat angles P-C4'-P energy: -114.719 tors. eta vs tors. theta energy: -185.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2340.991459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.991459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.991459 (E_RNA) where: Base-Base interactions energy: -1638.356 where: short stacking energy: -691.206 Base-Backbone interact. energy: -0.569 local terms energy: -702.066652 where: bonds (distance) C4'-P energy: -127.234 bonds (distance) P-C4' energy: -134.649 flat angles C4'-P-C4' energy: -139.781 flat angles P-C4'-P energy: -108.667 tors. eta vs tors. theta energy: -191.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2137.743841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.743841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.743841 (E_RNA) where: Base-Base interactions energy: -1500.241 where: short stacking energy: -661.025 Base-Backbone interact. energy: 0.599 local terms energy: -638.101510 where: bonds (distance) C4'-P energy: -110.592 bonds (distance) P-C4' energy: -131.485 flat angles C4'-P-C4' energy: -134.614 flat angles P-C4'-P energy: -83.293 tors. eta vs tors. theta energy: -178.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1939.863346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.863346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.863346 (E_RNA) where: Base-Base interactions energy: -1286.721 where: short stacking energy: -560.481 Base-Backbone interact. energy: -3.249 local terms energy: -649.893187 where: bonds (distance) C4'-P energy: -125.118 bonds (distance) P-C4' energy: -125.693 flat angles C4'-P-C4' energy: -152.814 flat angles P-C4'-P energy: -100.753 tors. eta vs tors. theta energy: -145.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1678.533376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.533376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.533376 (E_RNA) where: Base-Base interactions energy: -1130.909 where: short stacking energy: -480.793 Base-Backbone interact. energy: -2.512 local terms energy: -545.113089 where: bonds (distance) C4'-P energy: -109.041 bonds (distance) P-C4' energy: -117.029 flat angles C4'-P-C4' energy: -127.639 flat angles P-C4'-P energy: -67.081 tors. eta vs tors. theta energy: -124.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1396.774997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.774997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.774997 (E_RNA) where: Base-Base interactions energy: -879.019 where: short stacking energy: -391.946 Base-Backbone interact. energy: -0.785 local terms energy: -516.971330 where: bonds (distance) C4'-P energy: -115.781 bonds (distance) P-C4' energy: -125.720 flat angles C4'-P-C4' energy: -117.411 flat angles P-C4'-P energy: -84.629 tors. eta vs tors. theta energy: -73.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1014.487870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.487870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.487870 (E_RNA) where: Base-Base interactions energy: -597.075 where: short stacking energy: -298.567 Base-Backbone interact. energy: 8.862 local terms energy: -426.274322 where: bonds (distance) C4'-P energy: -110.066 bonds (distance) P-C4' energy: -126.226 flat angles C4'-P-C4' energy: -109.227 flat angles P-C4'-P energy: -56.202 tors. eta vs tors. theta energy: -24.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -786.723049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.723049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.723049 (E_RNA) where: Base-Base interactions energy: -370.046 where: short stacking energy: -216.972 Base-Backbone interact. energy: 0.864 local terms energy: -417.541223 where: bonds (distance) C4'-P energy: -112.947 bonds (distance) P-C4' energy: -121.226 flat angles C4'-P-C4' energy: -119.539 flat angles P-C4'-P energy: -69.924 tors. eta vs tors. theta energy: 6.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2666.332382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.332382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.332382 (E_RNA) where: Base-Base interactions energy: -1880.633 where: short stacking energy: -775.276 Base-Backbone interact. energy: -3.283 local terms energy: -782.416353 where: bonds (distance) C4'-P energy: -140.853 bonds (distance) P-C4' energy: -154.403 flat angles C4'-P-C4' energy: -163.888 flat angles P-C4'-P energy: -105.709 tors. eta vs tors. theta energy: -217.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2530.394410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.394410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.394410 (E_RNA) where: Base-Base interactions energy: -1733.749 where: short stacking energy: -765.959 Base-Backbone interact. energy: -5.120 local terms energy: -791.525369 where: bonds (distance) C4'-P energy: -156.019 bonds (distance) P-C4' energy: -140.647 flat angles C4'-P-C4' energy: -160.584 flat angles P-C4'-P energy: -107.902 tors. eta vs tors. theta energy: -226.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2438.789342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.789342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.789342 (E_RNA) where: Base-Base interactions energy: -1699.486 where: short stacking energy: -691.687 Base-Backbone interact. energy: -2.875 local terms energy: -736.428070 where: bonds (distance) C4'-P energy: -130.586 bonds (distance) P-C4' energy: -150.639 flat angles C4'-P-C4' energy: -155.472 flat angles P-C4'-P energy: -110.195 tors. eta vs tors. theta energy: -189.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2342.330506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.330506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.330506 (E_RNA) where: Base-Base interactions energy: -1620.709 where: short stacking energy: -679.395 Base-Backbone interact. energy: -1.840 local terms energy: -719.781426 where: bonds (distance) C4'-P energy: -133.222 bonds (distance) P-C4' energy: -139.113 flat angles C4'-P-C4' energy: -151.064 flat angles P-C4'-P energy: -94.581 tors. eta vs tors. theta energy: -201.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2141.303064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.303064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.303064 (E_RNA) where: Base-Base interactions energy: -1448.697 where: short stacking energy: -611.963 Base-Backbone interact. energy: -0.129 local terms energy: -692.477503 where: bonds (distance) C4'-P energy: -139.339 bonds (distance) P-C4' energy: -129.972 flat angles C4'-P-C4' energy: -152.834 flat angles P-C4'-P energy: -93.483 tors. eta vs tors. theta energy: -176.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1964.760040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.760040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.760040 (E_RNA) where: Base-Base interactions energy: -1318.745 where: short stacking energy: -571.419 Base-Backbone interact. energy: 1.778 local terms energy: -647.792778 where: bonds (distance) C4'-P energy: -140.738 bonds (distance) P-C4' energy: -124.114 flat angles C4'-P-C4' energy: -143.531 flat angles P-C4'-P energy: -82.218 tors. eta vs tors. theta energy: -157.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1698.213975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.213975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.213975 (E_RNA) where: Base-Base interactions energy: -1124.189 where: short stacking energy: -488.743 Base-Backbone interact. energy: -4.148 local terms energy: -569.876332 where: bonds (distance) C4'-P energy: -119.205 bonds (distance) P-C4' energy: -129.235 flat angles C4'-P-C4' energy: -131.228 flat angles P-C4'-P energy: -75.175 tors. eta vs tors. theta energy: -115.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1401.071017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.071017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.071017 (E_RNA) where: Base-Base interactions energy: -858.138 where: short stacking energy: -365.584 Base-Backbone interact. energy: -0.322 local terms energy: -542.611398 where: bonds (distance) C4'-P energy: -124.940 bonds (distance) P-C4' energy: -156.468 flat angles C4'-P-C4' energy: -135.737 flat angles P-C4'-P energy: -60.074 tors. eta vs tors. theta energy: -65.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1019.918483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.918483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.918483 (E_RNA) where: Base-Base interactions energy: -582.723 where: short stacking energy: -272.865 Base-Backbone interact. energy: 1.564 local terms energy: -438.759159 where: bonds (distance) C4'-P energy: -121.983 bonds (distance) P-C4' energy: -137.777 flat angles C4'-P-C4' energy: -111.773 flat angles P-C4'-P energy: -57.002 tors. eta vs tors. theta energy: -10.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -800.016207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.016207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.016207 (E_RNA) where: Base-Base interactions energy: -365.083 where: short stacking energy: -220.875 Base-Backbone interact. energy: -1.884 local terms energy: -433.049165 where: bonds (distance) C4'-P energy: -107.029 bonds (distance) P-C4' energy: -151.177 flat angles C4'-P-C4' energy: -100.653 flat angles P-C4'-P energy: -73.745 tors. eta vs tors. theta energy: -0.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2683.467627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.467627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.467627 (E_RNA) where: Base-Base interactions energy: -1871.182 where: short stacking energy: -766.632 Base-Backbone interact. energy: -2.028 local terms energy: -810.257183 where: bonds (distance) C4'-P energy: -144.559 bonds (distance) P-C4' energy: -158.980 flat angles C4'-P-C4' energy: -173.838 flat angles P-C4'-P energy: -110.763 tors. eta vs tors. theta energy: -222.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2504.510436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.510436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.510436 (E_RNA) where: Base-Base interactions energy: -1702.521 where: short stacking energy: -730.783 Base-Backbone interact. energy: -0.805 local terms energy: -805.969309 where: bonds (distance) C4'-P energy: -153.103 bonds (distance) P-C4' energy: -152.395 flat angles C4'-P-C4' energy: -172.347 flat angles P-C4'-P energy: -113.097 tors. eta vs tors. theta energy: -215.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 4.785 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2421.826763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.826763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.826763 (E_RNA) where: Base-Base interactions energy: -1676.723 where: short stacking energy: -678.488 Base-Backbone interact. energy: 5.114 local terms energy: -750.217080 where: bonds (distance) C4'-P energy: -147.007 bonds (distance) P-C4' energy: -145.125 flat angles C4'-P-C4' energy: -164.844 flat angles P-C4'-P energy: -113.106 tors. eta vs tors. theta energy: -180.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2378.953897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.953897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.953897 (E_RNA) where: Base-Base interactions energy: -1629.551 where: short stacking energy: -709.964 Base-Backbone interact. energy: 0.039 local terms energy: -749.441788 where: bonds (distance) C4'-P energy: -128.386 bonds (distance) P-C4' energy: -141.651 flat angles C4'-P-C4' energy: -149.303 flat angles P-C4'-P energy: -106.452 tors. eta vs tors. theta energy: -223.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2120.745164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.745164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.745164 (E_RNA) where: Base-Base interactions energy: -1445.723 where: short stacking energy: -636.318 Base-Backbone interact. energy: -3.661 local terms energy: -671.361149 where: bonds (distance) C4'-P energy: -139.113 bonds (distance) P-C4' energy: -108.548 flat angles C4'-P-C4' energy: -146.030 flat angles P-C4'-P energy: -100.807 tors. eta vs tors. theta energy: -176.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1921.823971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.823971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.823971 (E_RNA) where: Base-Base interactions energy: -1299.259 where: short stacking energy: -546.277 Base-Backbone interact. energy: -1.605 local terms energy: -620.959989 where: bonds (distance) C4'-P energy: -136.172 bonds (distance) P-C4' energy: -111.241 flat angles C4'-P-C4' energy: -136.015 flat angles P-C4'-P energy: -97.570 tors. eta vs tors. theta energy: -139.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1655.499607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.499607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.499607 (E_RNA) where: Base-Base interactions energy: -1086.182 where: short stacking energy: -470.502 Base-Backbone interact. energy: -0.098 local terms energy: -569.219167 where: bonds (distance) C4'-P energy: -121.889 bonds (distance) P-C4' energy: -131.484 flat angles C4'-P-C4' energy: -118.912 flat angles P-C4'-P energy: -84.344 tors. eta vs tors. theta energy: -112.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1431.731331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.731331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.731331 (E_RNA) where: Base-Base interactions energy: -906.757 where: short stacking energy: -417.468 Base-Backbone interact. energy: -0.571 local terms energy: -524.403646 where: bonds (distance) C4'-P energy: -113.996 bonds (distance) P-C4' energy: -130.023 flat angles C4'-P-C4' energy: -124.333 flat angles P-C4'-P energy: -67.658 tors. eta vs tors. theta energy: -88.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1035.313739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.313739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.313739 (E_RNA) where: Base-Base interactions energy: -587.298 where: short stacking energy: -279.801 Base-Backbone interact. energy: 0.500 local terms energy: -448.515472 where: bonds (distance) C4'-P energy: -115.780 bonds (distance) P-C4' energy: -126.791 flat angles C4'-P-C4' energy: -104.400 flat angles P-C4'-P energy: -77.534 tors. eta vs tors. theta energy: -24.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -772.597083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.597083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.597083 (E_RNA) where: Base-Base interactions energy: -359.077 where: short stacking energy: -229.434 Base-Backbone interact. energy: 4.317 local terms energy: -417.836421 where: bonds (distance) C4'-P energy: -117.791 bonds (distance) P-C4' energy: -118.775 flat angles C4'-P-C4' energy: -119.157 flat angles P-C4'-P energy: -61.879 tors. eta vs tors. theta energy: -0.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2646.605683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.605683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.605683 (E_RNA) where: Base-Base interactions energy: -1814.411 where: short stacking energy: -775.116 Base-Backbone interact. energy: -1.382 local terms energy: -830.812479 where: bonds (distance) C4'-P energy: -138.941 bonds (distance) P-C4' energy: -152.159 flat angles C4'-P-C4' energy: -181.984 flat angles P-C4'-P energy: -114.029 tors. eta vs tors. theta energy: -243.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2505.494069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.494069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.494069 (E_RNA) where: Base-Base interactions energy: -1763.409 where: short stacking energy: -709.916 Base-Backbone interact. energy: -3.605 local terms energy: -738.480379 where: bonds (distance) C4'-P energy: -139.335 bonds (distance) P-C4' energy: -135.277 flat angles C4'-P-C4' energy: -158.415 flat angles P-C4'-P energy: -106.909 tors. eta vs tors. theta energy: -198.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2444.226448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.226448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.226448 (E_RNA) where: Base-Base interactions energy: -1671.009 where: short stacking energy: -719.724 Base-Backbone interact. energy: -7.476 local terms energy: -765.741853 where: bonds (distance) C4'-P energy: -132.754 bonds (distance) P-C4' energy: -151.674 flat angles C4'-P-C4' energy: -174.156 flat angles P-C4'-P energy: -99.486 tors. eta vs tors. theta energy: -207.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2309.339823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.339823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.339823 (E_RNA) where: Base-Base interactions energy: -1559.462 where: short stacking energy: -708.274 Base-Backbone interact. energy: -4.752 local terms energy: -745.126170 where: bonds (distance) C4'-P energy: -135.542 bonds (distance) P-C4' energy: -144.390 flat angles C4'-P-C4' energy: -156.819 flat angles P-C4'-P energy: -98.561 tors. eta vs tors. theta energy: -209.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2113.426851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.426851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.426851 (E_RNA) where: Base-Base interactions energy: -1430.421 where: short stacking energy: -587.714 Base-Backbone interact. energy: -2.231 local terms energy: -680.775271 where: bonds (distance) C4'-P energy: -133.637 bonds (distance) P-C4' energy: -127.845 flat angles C4'-P-C4' energy: -148.821 flat angles P-C4'-P energy: -95.392 tors. eta vs tors. theta energy: -175.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1950.469289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.469289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.469289 (E_RNA) where: Base-Base interactions energy: -1319.182 where: short stacking energy: -577.481 Base-Backbone interact. energy: -1.163 local terms energy: -630.124254 where: bonds (distance) C4'-P energy: -115.837 bonds (distance) P-C4' energy: -136.394 flat angles C4'-P-C4' energy: -135.903 flat angles P-C4'-P energy: -96.814 tors. eta vs tors. theta energy: -145.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1684.567954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.567954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.567954 (E_RNA) where: Base-Base interactions energy: -1111.972 where: short stacking energy: -478.040 Base-Backbone interact. energy: -2.637 local terms energy: -569.958746 where: bonds (distance) C4'-P energy: -110.566 bonds (distance) P-C4' energy: -123.988 flat angles C4'-P-C4' energy: -134.807 flat angles P-C4'-P energy: -81.385 tors. eta vs tors. theta energy: -119.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1421.626255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.626255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.626255 (E_RNA) where: Base-Base interactions energy: -882.220 where: short stacking energy: -393.089 Base-Backbone interact. energy: 2.483 local terms energy: -541.889639 where: bonds (distance) C4'-P energy: -128.646 bonds (distance) P-C4' energy: -119.979 flat angles C4'-P-C4' energy: -129.095 flat angles P-C4'-P energy: -77.788 tors. eta vs tors. theta energy: -86.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1097.434782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.434782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.434782 (E_RNA) where: Base-Base interactions energy: -625.883 where: short stacking energy: -323.995 Base-Backbone interact. energy: -0.976 local terms energy: -470.576066 where: bonds (distance) C4'-P energy: -132.660 bonds (distance) P-C4' energy: -127.860 flat angles C4'-P-C4' energy: -109.165 flat angles P-C4'-P energy: -68.357 tors. eta vs tors. theta energy: -32.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -744.713309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.713309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.713309 (E_RNA) where: Base-Base interactions energy: -376.060 where: short stacking energy: -231.322 Base-Backbone interact. energy: 1.548 local terms energy: -370.200667 where: bonds (distance) C4'-P energy: -105.573 bonds (distance) P-C4' energy: -110.398 flat angles C4'-P-C4' energy: -104.254 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: 5.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2666.451464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.451464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.451464 (E_RNA) where: Base-Base interactions energy: -1839.333 where: short stacking energy: -784.208 Base-Backbone interact. energy: -3.071 local terms energy: -824.047739 where: bonds (distance) C4'-P energy: -134.014 bonds (distance) P-C4' energy: -156.971 flat angles C4'-P-C4' energy: -174.619 flat angles P-C4'-P energy: -117.560 tors. eta vs tors. theta energy: -240.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2503.439509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.439509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.439509 (E_RNA) where: Base-Base interactions energy: -1758.038 where: short stacking energy: -716.703 Base-Backbone interact. energy: -0.131 local terms energy: -745.271061 where: bonds (distance) C4'-P energy: -129.262 bonds (distance) P-C4' energy: -144.892 flat angles C4'-P-C4' energy: -163.387 flat angles P-C4'-P energy: -108.908 tors. eta vs tors. theta energy: -198.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2460.955063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.955063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.955063 (E_RNA) where: Base-Base interactions energy: -1657.905 where: short stacking energy: -749.364 Base-Backbone interact. energy: 1.157 local terms energy: -804.207040 where: bonds (distance) C4'-P energy: -131.076 bonds (distance) P-C4' energy: -156.722 flat angles C4'-P-C4' energy: -167.780 flat angles P-C4'-P energy: -122.449 tors. eta vs tors. theta energy: -226.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2362.696939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.696939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.696939 (E_RNA) where: Base-Base interactions energy: -1622.038 where: short stacking energy: -695.779 Base-Backbone interact. energy: -3.939 local terms energy: -736.829727 where: bonds (distance) C4'-P energy: -115.734 bonds (distance) P-C4' energy: -136.449 flat angles C4'-P-C4' energy: -154.994 flat angles P-C4'-P energy: -113.277 tors. eta vs tors. theta energy: -216.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.110 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2152.564046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.564046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.564046 (E_RNA) where: Base-Base interactions energy: -1473.579 where: short stacking energy: -643.590 Base-Backbone interact. energy: -2.906 local terms energy: -676.078443 where: bonds (distance) C4'-P energy: -130.658 bonds (distance) P-C4' energy: -127.334 flat angles C4'-P-C4' energy: -130.757 flat angles P-C4'-P energy: -99.578 tors. eta vs tors. theta energy: -187.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1960.224652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.224652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.224652 (E_RNA) where: Base-Base interactions energy: -1283.728 where: short stacking energy: -530.789 Base-Backbone interact. energy: -2.419 local terms energy: -674.078114 where: bonds (distance) C4'-P energy: -143.423 bonds (distance) P-C4' energy: -136.282 flat angles C4'-P-C4' energy: -138.836 flat angles P-C4'-P energy: -108.657 tors. eta vs tors. theta energy: -146.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1746.324444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.324444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.324444 (E_RNA) where: Base-Base interactions energy: -1168.506 where: short stacking energy: -519.145 Base-Backbone interact. energy: 2.521 local terms energy: -580.339322 where: bonds (distance) C4'-P energy: -130.610 bonds (distance) P-C4' energy: -130.849 flat angles C4'-P-C4' energy: -126.680 flat angles P-C4'-P energy: -77.321 tors. eta vs tors. theta energy: -114.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1442.804119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.804119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.804119 (E_RNA) where: Base-Base interactions energy: -885.197 where: short stacking energy: -427.154 Base-Backbone interact. energy: -1.277 local terms energy: -556.330378 where: bonds (distance) C4'-P energy: -119.983 bonds (distance) P-C4' energy: -135.442 flat angles C4'-P-C4' energy: -124.764 flat angles P-C4'-P energy: -65.254 tors. eta vs tors. theta energy: -110.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1008.514854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.514854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.514854 (E_RNA) where: Base-Base interactions energy: -586.721 where: short stacking energy: -258.416 Base-Backbone interact. energy: 11.597 local terms energy: -433.390736 where: bonds (distance) C4'-P energy: -107.962 bonds (distance) P-C4' energy: -124.664 flat angles C4'-P-C4' energy: -107.252 flat angles P-C4'-P energy: -72.895 tors. eta vs tors. theta energy: -20.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -757.831101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.831101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.831101 (E_RNA) where: Base-Base interactions energy: -377.515 where: short stacking energy: -225.836 Base-Backbone interact. energy: 2.335 local terms energy: -382.651161 where: bonds (distance) C4'-P energy: -117.099 bonds (distance) P-C4' energy: -127.544 flat angles C4'-P-C4' energy: -95.749 flat angles P-C4'-P energy: -50.729 tors. eta vs tors. theta energy: 8.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2670.157027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.157027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.157027 (E_RNA) where: Base-Base interactions energy: -1846.082 where: short stacking energy: -761.984 Base-Backbone interact. energy: 3.717 local terms energy: -827.792076 where: bonds (distance) C4'-P energy: -151.435 bonds (distance) P-C4' energy: -156.999 flat angles C4'-P-C4' energy: -176.465 flat angles P-C4'-P energy: -116.421 tors. eta vs tors. theta energy: -226.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2520.178339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.178339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.178339 (E_RNA) where: Base-Base interactions energy: -1757.823 where: short stacking energy: -729.339 Base-Backbone interact. energy: -6.627 local terms energy: -755.728398 where: bonds (distance) C4'-P energy: -139.619 bonds (distance) P-C4' energy: -145.555 flat angles C4'-P-C4' energy: -167.288 flat angles P-C4'-P energy: -93.504 tors. eta vs tors. theta energy: -209.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2479.344750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.344750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.344750 (E_RNA) where: Base-Base interactions energy: -1693.596 where: short stacking energy: -748.639 Base-Backbone interact. energy: -1.686 local terms energy: -784.062843 where: bonds (distance) C4'-P energy: -138.569 bonds (distance) P-C4' energy: -145.189 flat angles C4'-P-C4' energy: -168.783 flat angles P-C4'-P energy: -104.624 tors. eta vs tors. theta energy: -226.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2345.957264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.957264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.957264 (E_RNA) where: Base-Base interactions energy: -1608.206 where: short stacking energy: -697.561 Base-Backbone interact. energy: -5.125 local terms energy: -732.955794 where: bonds (distance) C4'-P energy: -135.101 bonds (distance) P-C4' energy: -135.573 flat angles C4'-P-C4' energy: -156.013 flat angles P-C4'-P energy: -102.869 tors. eta vs tors. theta energy: -203.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.329 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2117.151052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.151052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.151052 (E_RNA) where: Base-Base interactions energy: -1431.102 where: short stacking energy: -646.553 Base-Backbone interact. energy: -2.644 local terms energy: -683.404441 where: bonds (distance) C4'-P energy: -130.248 bonds (distance) P-C4' energy: -132.019 flat angles C4'-P-C4' energy: -145.536 flat angles P-C4'-P energy: -92.782 tors. eta vs tors. theta energy: -182.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1945.291922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.291922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.291922 (E_RNA) where: Base-Base interactions energy: -1287.079 where: short stacking energy: -548.689 Base-Backbone interact. energy: 2.088 local terms energy: -660.301390 where: bonds (distance) C4'-P energy: -129.626 bonds (distance) P-C4' energy: -139.982 flat angles C4'-P-C4' energy: -143.959 flat angles P-C4'-P energy: -91.818 tors. eta vs tors. theta energy: -154.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1737.584049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.584049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.584049 (E_RNA) where: Base-Base interactions energy: -1116.392 where: short stacking energy: -507.435 Base-Backbone interact. energy: -2.478 local terms energy: -618.714904 where: bonds (distance) C4'-P energy: -139.129 bonds (distance) P-C4' energy: -130.770 flat angles C4'-P-C4' energy: -143.014 flat angles P-C4'-P energy: -88.112 tors. eta vs tors. theta energy: -117.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1456.392669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.392669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.392669 (E_RNA) where: Base-Base interactions energy: -933.222 where: short stacking energy: -438.837 Base-Backbone interact. energy: -0.064 local terms energy: -523.106999 where: bonds (distance) C4'-P energy: -127.315 bonds (distance) P-C4' energy: -122.001 flat angles C4'-P-C4' energy: -106.146 flat angles P-C4'-P energy: -86.901 tors. eta vs tors. theta energy: -80.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1009.448552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.448552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.448552 (E_RNA) where: Base-Base interactions energy: -566.300 where: short stacking energy: -245.345 Base-Backbone interact. energy: -0.837 local terms energy: -442.311323 where: bonds (distance) C4'-P energy: -128.946 bonds (distance) P-C4' energy: -131.241 flat angles C4'-P-C4' energy: -102.644 flat angles P-C4'-P energy: -63.440 tors. eta vs tors. theta energy: -16.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -746.473549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.473549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.473549 (E_RNA) where: Base-Base interactions energy: -384.801 where: short stacking energy: -243.131 Base-Backbone interact. energy: -1.707 local terms energy: -359.965436 where: bonds (distance) C4'-P energy: -105.782 bonds (distance) P-C4' energy: -129.646 flat angles C4'-P-C4' energy: -84.971 flat angles P-C4'-P energy: -44.090 tors. eta vs tors. theta energy: 4.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2669.017234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.017234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.017234 (E_RNA) where: Base-Base interactions energy: -1859.148 where: short stacking energy: -788.737 Base-Backbone interact. energy: -2.432 local terms energy: -807.436856 where: bonds (distance) C4'-P energy: -143.856 bonds (distance) P-C4' energy: -145.050 flat angles C4'-P-C4' energy: -177.235 flat angles P-C4'-P energy: -106.594 tors. eta vs tors. theta energy: -234.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2538.041229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.041229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.041229 (E_RNA) where: Base-Base interactions energy: -1745.490 where: short stacking energy: -743.565 Base-Backbone interact. energy: -4.040 local terms energy: -788.511129 where: bonds (distance) C4'-P energy: -136.712 bonds (distance) P-C4' energy: -139.157 flat angles C4'-P-C4' energy: -171.099 flat angles P-C4'-P energy: -119.435 tors. eta vs tors. theta energy: -222.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2429.865381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.865381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.865381 (E_RNA) where: Base-Base interactions energy: -1652.059 where: short stacking energy: -735.508 Base-Backbone interact. energy: -0.894 local terms energy: -776.912266 where: bonds (distance) C4'-P energy: -126.974 bonds (distance) P-C4' energy: -160.714 flat angles C4'-P-C4' energy: -162.539 flat angles P-C4'-P energy: -111.425 tors. eta vs tors. theta energy: -215.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2403.162708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.162708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.162708 (E_RNA) where: Base-Base interactions energy: -1664.946 where: short stacking energy: -729.427 Base-Backbone interact. energy: 4.457 local terms energy: -742.674263 where: bonds (distance) C4'-P energy: -137.312 bonds (distance) P-C4' energy: -137.493 flat angles C4'-P-C4' energy: -144.914 flat angles P-C4'-P energy: -106.500 tors. eta vs tors. theta energy: -216.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2113.252352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.252352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.252352 (E_RNA) where: Base-Base interactions energy: -1425.685 where: short stacking energy: -638.475 Base-Backbone interact. energy: -4.821 local terms energy: -682.745939 where: bonds (distance) C4'-P energy: -109.756 bonds (distance) P-C4' energy: -128.986 flat angles C4'-P-C4' energy: -155.113 flat angles P-C4'-P energy: -103.893 tors. eta vs tors. theta energy: -184.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1935.831768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.831768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.831768 (E_RNA) where: Base-Base interactions energy: -1320.567 where: short stacking energy: -570.229 Base-Backbone interact. energy: 1.490 local terms energy: -616.755014 where: bonds (distance) C4'-P energy: -114.203 bonds (distance) P-C4' energy: -120.102 flat angles C4'-P-C4' energy: -148.102 flat angles P-C4'-P energy: -89.513 tors. eta vs tors. theta energy: -144.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1728.768883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.768883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.768883 (E_RNA) where: Base-Base interactions energy: -1143.013 where: short stacking energy: -493.245 Base-Backbone interact. energy: -2.120 local terms energy: -583.635107 where: bonds (distance) C4'-P energy: -108.249 bonds (distance) P-C4' energy: -132.327 flat angles C4'-P-C4' energy: -149.851 flat angles P-C4'-P energy: -80.208 tors. eta vs tors. theta energy: -113.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1508.065179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.065179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.065179 (E_RNA) where: Base-Base interactions energy: -968.150 where: short stacking energy: -441.411 Base-Backbone interact. energy: 3.776 local terms energy: -543.691592 where: bonds (distance) C4'-P energy: -116.505 bonds (distance) P-C4' energy: -131.470 flat angles C4'-P-C4' energy: -129.036 flat angles P-C4'-P energy: -86.428 tors. eta vs tors. theta energy: -80.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -977.975934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.975934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.975934 (E_RNA) where: Base-Base interactions energy: -574.207 where: short stacking energy: -304.013 Base-Backbone interact. energy: -2.158 local terms energy: -401.610679 where: bonds (distance) C4'-P energy: -102.658 bonds (distance) P-C4' energy: -117.051 flat angles C4'-P-C4' energy: -106.093 flat angles P-C4'-P energy: -63.137 tors. eta vs tors. theta energy: -12.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -784.293100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.293100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.293100 (E_RNA) where: Base-Base interactions energy: -403.636 where: short stacking energy: -218.541 Base-Backbone interact. energy: 0.276 local terms energy: -380.932904 where: bonds (distance) C4'-P energy: -108.870 bonds (distance) P-C4' energy: -139.350 flat angles C4'-P-C4' energy: -81.532 flat angles P-C4'-P energy: -54.633 tors. eta vs tors. theta energy: 3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2660.233089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.233089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.233089 (E_RNA) where: Base-Base interactions energy: -1832.166 where: short stacking energy: -772.984 Base-Backbone interact. energy: 0.580 local terms energy: -828.647148 where: bonds (distance) C4'-P energy: -159.778 bonds (distance) P-C4' energy: -154.316 flat angles C4'-P-C4' energy: -182.232 flat angles P-C4'-P energy: -96.906 tors. eta vs tors. theta energy: -235.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2541.827674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.827674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.827674 (E_RNA) where: Base-Base interactions energy: -1754.234 where: short stacking energy: -716.729 Base-Backbone interact. energy: 0.028 local terms energy: -787.622555 where: bonds (distance) C4'-P energy: -140.651 bonds (distance) P-C4' energy: -142.843 flat angles C4'-P-C4' energy: -172.859 flat angles P-C4'-P energy: -126.684 tors. eta vs tors. theta energy: -204.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2457.082054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.082054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.082054 (E_RNA) where: Base-Base interactions energy: -1688.977 where: short stacking energy: -739.202 Base-Backbone interact. energy: 0.721 local terms energy: -768.826446 where: bonds (distance) C4'-P energy: -132.699 bonds (distance) P-C4' energy: -139.972 flat angles C4'-P-C4' energy: -157.718 flat angles P-C4'-P energy: -110.635 tors. eta vs tors. theta energy: -227.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2318.473138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.473138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.473138 (E_RNA) where: Base-Base interactions energy: -1605.232 where: short stacking energy: -698.315 Base-Backbone interact. energy: 1.200 local terms energy: -714.441405 where: bonds (distance) C4'-P energy: -118.480 bonds (distance) P-C4' energy: -141.659 flat angles C4'-P-C4' energy: -158.466 flat angles P-C4'-P energy: -105.062 tors. eta vs tors. theta energy: -190.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2129.074712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.074712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.074712 (E_RNA) where: Base-Base interactions energy: -1456.609 where: short stacking energy: -645.717 Base-Backbone interact. energy: -2.645 local terms energy: -669.820449 where: bonds (distance) C4'-P energy: -134.839 bonds (distance) P-C4' energy: -114.605 flat angles C4'-P-C4' energy: -140.002 flat angles P-C4'-P energy: -97.192 tors. eta vs tors. theta energy: -183.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1938.881062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.881062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.881062 (E_RNA) where: Base-Base interactions energy: -1309.142 where: short stacking energy: -591.758 Base-Backbone interact. energy: 1.550 local terms energy: -631.289343 where: bonds (distance) C4'-P energy: -130.184 bonds (distance) P-C4' energy: -125.144 flat angles C4'-P-C4' energy: -149.466 flat angles P-C4'-P energy: -82.209 tors. eta vs tors. theta energy: -144.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1716.707371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.707371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.707371 (E_RNA) where: Base-Base interactions energy: -1114.314 where: short stacking energy: -490.727 Base-Backbone interact. energy: 1.888 local terms energy: -604.281181 where: bonds (distance) C4'-P energy: -135.749 bonds (distance) P-C4' energy: -139.962 flat angles C4'-P-C4' energy: -134.288 flat angles P-C4'-P energy: -81.603 tors. eta vs tors. theta energy: -112.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1464.572966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.572966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.572966 (E_RNA) where: Base-Base interactions energy: -935.191 where: short stacking energy: -420.009 Base-Backbone interact. energy: -1.393 local terms energy: -527.989280 where: bonds (distance) C4'-P energy: -122.121 bonds (distance) P-C4' energy: -124.022 flat angles C4'-P-C4' energy: -125.639 flat angles P-C4'-P energy: -80.769 tors. eta vs tors. theta energy: -75.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -973.868493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.868493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.868493 (E_RNA) where: Base-Base interactions energy: -488.555 where: short stacking energy: -249.676 Base-Backbone interact. energy: -2.710 local terms energy: -482.603771 where: bonds (distance) C4'-P energy: -123.753 bonds (distance) P-C4' energy: -136.220 flat angles C4'-P-C4' energy: -124.589 flat angles P-C4'-P energy: -74.471 tors. eta vs tors. theta energy: -23.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -796.861086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.861086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.861086 (E_RNA) where: Base-Base interactions energy: -393.023 where: short stacking energy: -230.626 Base-Backbone interact. energy: -1.273 local terms energy: -402.564438 where: bonds (distance) C4'-P energy: -111.178 bonds (distance) P-C4' energy: -128.769 flat angles C4'-P-C4' energy: -95.803 flat angles P-C4'-P energy: -64.360 tors. eta vs tors. theta energy: -2.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2651.971941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.971941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.971941 (E_RNA) where: Base-Base interactions energy: -1834.244 where: short stacking energy: -767.784 Base-Backbone interact. energy: -3.664 local terms energy: -814.063834 where: bonds (distance) C4'-P energy: -157.775 bonds (distance) P-C4' energy: -155.875 flat angles C4'-P-C4' energy: -162.132 flat angles P-C4'-P energy: -116.011 tors. eta vs tors. theta energy: -222.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2523.369088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.369088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.369088 (E_RNA) where: Base-Base interactions energy: -1749.696 where: short stacking energy: -731.328 Base-Backbone interact. energy: -0.791 local terms energy: -772.882950 where: bonds (distance) C4'-P energy: -152.083 bonds (distance) P-C4' energy: -141.867 flat angles C4'-P-C4' energy: -169.026 flat angles P-C4'-P energy: -95.355 tors. eta vs tors. theta energy: -214.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2420.253607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.253607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.253607 (E_RNA) where: Base-Base interactions energy: -1661.843 where: short stacking energy: -719.080 Base-Backbone interact. energy: -2.758 local terms energy: -755.652894 where: bonds (distance) C4'-P energy: -144.755 bonds (distance) P-C4' energy: -130.095 flat angles C4'-P-C4' energy: -161.569 flat angles P-C4'-P energy: -99.217 tors. eta vs tors. theta energy: -220.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2359.069942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.069942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.069942 (E_RNA) where: Base-Base interactions energy: -1607.613 where: short stacking energy: -691.017 Base-Backbone interact. energy: -2.182 local terms energy: -749.274808 where: bonds (distance) C4'-P energy: -138.742 bonds (distance) P-C4' energy: -150.018 flat angles C4'-P-C4' energy: -155.215 flat angles P-C4'-P energy: -95.925 tors. eta vs tors. theta energy: -209.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2141.218984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.218984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.218984 (E_RNA) where: Base-Base interactions energy: -1444.277 where: short stacking energy: -653.499 Base-Backbone interact. energy: 0.551 local terms energy: -697.492718 where: bonds (distance) C4'-P energy: -124.527 bonds (distance) P-C4' energy: -142.598 flat angles C4'-P-C4' energy: -146.628 flat angles P-C4'-P energy: -90.197 tors. eta vs tors. theta energy: -193.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1980.967365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.967365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.967365 (E_RNA) where: Base-Base interactions energy: -1333.634 where: short stacking energy: -570.171 Base-Backbone interact. energy: -5.655 local terms energy: -641.678794 where: bonds (distance) C4'-P energy: -111.604 bonds (distance) P-C4' energy: -141.741 flat angles C4'-P-C4' energy: -142.074 flat angles P-C4'-P energy: -86.372 tors. eta vs tors. theta energy: -159.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1690.117026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.117026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.117026 (E_RNA) where: Base-Base interactions energy: -1122.821 where: short stacking energy: -472.614 Base-Backbone interact. energy: -4.525 local terms energy: -562.770868 where: bonds (distance) C4'-P energy: -109.728 bonds (distance) P-C4' energy: -134.072 flat angles C4'-P-C4' energy: -121.688 flat angles P-C4'-P energy: -90.906 tors. eta vs tors. theta energy: -106.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1470.644463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.644463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.644463 (E_RNA) where: Base-Base interactions energy: -926.474 where: short stacking energy: -419.870 Base-Backbone interact. energy: -0.214 local terms energy: -543.956451 where: bonds (distance) C4'-P energy: -122.140 bonds (distance) P-C4' energy: -132.582 flat angles C4'-P-C4' energy: -114.015 flat angles P-C4'-P energy: -83.744 tors. eta vs tors. theta energy: -91.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -990.761197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.761197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.761197 (E_RNA) where: Base-Base interactions energy: -536.383 where: short stacking energy: -268.819 Base-Backbone interact. energy: -0.676 local terms energy: -453.701841 where: bonds (distance) C4'-P energy: -103.198 bonds (distance) P-C4' energy: -139.061 flat angles C4'-P-C4' energy: -128.505 flat angles P-C4'-P energy: -63.931 tors. eta vs tors. theta energy: -19.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -767.918795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.918795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.918795 (E_RNA) where: Base-Base interactions energy: -362.256 where: short stacking energy: -197.031 Base-Backbone interact. energy: 5.716 local terms energy: -411.378674 where: bonds (distance) C4'-P energy: -116.917 bonds (distance) P-C4' energy: -134.614 flat angles C4'-P-C4' energy: -127.030 flat angles P-C4'-P energy: -53.847 tors. eta vs tors. theta energy: 21.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2628.440270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.440270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.440270 (E_RNA) where: Base-Base interactions energy: -1819.921 where: short stacking energy: -766.227 Base-Backbone interact. energy: -1.386 local terms energy: -807.133070 where: bonds (distance) C4'-P energy: -145.658 bonds (distance) P-C4' energy: -146.929 flat angles C4'-P-C4' energy: -174.453 flat angles P-C4'-P energy: -113.096 tors. eta vs tors. theta energy: -226.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2528.412409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.412409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.412409 (E_RNA) where: Base-Base interactions energy: -1732.724 where: short stacking energy: -729.194 Base-Backbone interact. energy: 0.461 local terms energy: -796.149525 where: bonds (distance) C4'-P energy: -141.644 bonds (distance) P-C4' energy: -168.417 flat angles C4'-P-C4' energy: -163.047 flat angles P-C4'-P energy: -121.094 tors. eta vs tors. theta energy: -201.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2384.911496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.911496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.911496 (E_RNA) where: Base-Base interactions energy: -1623.728 where: short stacking energy: -713.095 Base-Backbone interact. energy: 2.367 local terms energy: -763.550170 where: bonds (distance) C4'-P energy: -136.586 bonds (distance) P-C4' energy: -138.083 flat angles C4'-P-C4' energy: -166.003 flat angles P-C4'-P energy: -107.970 tors. eta vs tors. theta energy: -214.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2334.360183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.360183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.360183 (E_RNA) where: Base-Base interactions energy: -1598.006 where: short stacking energy: -702.120 Base-Backbone interact. energy: -1.557 local terms energy: -734.796632 where: bonds (distance) C4'-P energy: -131.246 bonds (distance) P-C4' energy: -133.636 flat angles C4'-P-C4' energy: -163.452 flat angles P-C4'-P energy: -102.182 tors. eta vs tors. theta energy: -204.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2160.536784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.536784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.536784 (E_RNA) where: Base-Base interactions energy: -1462.587 where: short stacking energy: -648.621 Base-Backbone interact. energy: -4.394 local terms energy: -693.555325 where: bonds (distance) C4'-P energy: -137.417 bonds (distance) P-C4' energy: -116.021 flat angles C4'-P-C4' energy: -155.643 flat angles P-C4'-P energy: -91.725 tors. eta vs tors. theta energy: -192.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1997.807076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.807076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.807076 (E_RNA) where: Base-Base interactions energy: -1357.171 where: short stacking energy: -601.142 Base-Backbone interact. energy: -1.177 local terms energy: -639.458701 where: bonds (distance) C4'-P energy: -116.680 bonds (distance) P-C4' energy: -129.439 flat angles C4'-P-C4' energy: -154.666 flat angles P-C4'-P energy: -87.899 tors. eta vs tors. theta energy: -150.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1720.758567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.758567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.758567 (E_RNA) where: Base-Base interactions energy: -1170.381 where: short stacking energy: -493.792 Base-Backbone interact. energy: -2.399 local terms energy: -547.978027 where: bonds (distance) C4'-P energy: -112.921 bonds (distance) P-C4' energy: -117.380 flat angles C4'-P-C4' energy: -121.726 flat angles P-C4'-P energy: -80.209 tors. eta vs tors. theta energy: -115.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1452.074921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.074921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.074921 (E_RNA) where: Base-Base interactions energy: -900.138 where: short stacking energy: -429.713 Base-Backbone interact. energy: 0.969 local terms energy: -552.905561 where: bonds (distance) C4'-P energy: -107.881 bonds (distance) P-C4' energy: -154.800 flat angles C4'-P-C4' energy: -118.627 flat angles P-C4'-P energy: -85.160 tors. eta vs tors. theta energy: -86.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -974.611250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.611250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.611250 (E_RNA) where: Base-Base interactions energy: -542.357 where: short stacking energy: -251.585 Base-Backbone interact. energy: -0.173 local terms energy: -432.081315 where: bonds (distance) C4'-P energy: -83.508 bonds (distance) P-C4' energy: -137.702 flat angles C4'-P-C4' energy: -110.908 flat angles P-C4'-P energy: -76.794 tors. eta vs tors. theta energy: -23.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -768.678251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.678251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.678251 (E_RNA) where: Base-Base interactions energy: -372.521 where: short stacking energy: -209.378 Base-Backbone interact. energy: 11.441 local terms energy: -407.598582 where: bonds (distance) C4'-P energy: -121.484 bonds (distance) P-C4' energy: -119.417 flat angles C4'-P-C4' energy: -121.333 flat angles P-C4'-P energy: -58.282 tors. eta vs tors. theta energy: 12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2617.498442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.498442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.498442 (E_RNA) where: Base-Base interactions energy: -1804.069 where: short stacking energy: -756.477 Base-Backbone interact. energy: 2.780 local terms energy: -816.209410 where: bonds (distance) C4'-P energy: -143.565 bonds (distance) P-C4' energy: -157.681 flat angles C4'-P-C4' energy: -164.842 flat angles P-C4'-P energy: -124.330 tors. eta vs tors. theta energy: -225.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2508.399302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.399302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.399302 (E_RNA) where: Base-Base interactions energy: -1722.752 where: short stacking energy: -739.611 Base-Backbone interact. energy: -1.560 local terms energy: -784.087618 where: bonds (distance) C4'-P energy: -132.367 bonds (distance) P-C4' energy: -153.194 flat angles C4'-P-C4' energy: -166.026 flat angles P-C4'-P energy: -121.866 tors. eta vs tors. theta energy: -210.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2387.559794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.559794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.559794 (E_RNA) where: Base-Base interactions energy: -1652.540 where: short stacking energy: -686.164 Base-Backbone interact. energy: -2.146 local terms energy: -732.873434 where: bonds (distance) C4'-P energy: -120.701 bonds (distance) P-C4' energy: -141.611 flat angles C4'-P-C4' energy: -157.483 flat angles P-C4'-P energy: -119.224 tors. eta vs tors. theta energy: -193.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2333.217280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.217280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.217280 (E_RNA) where: Base-Base interactions energy: -1591.653 where: short stacking energy: -680.355 Base-Backbone interact. energy: -4.475 local terms energy: -737.745281 where: bonds (distance) C4'-P energy: -150.585 bonds (distance) P-C4' energy: -128.965 flat angles C4'-P-C4' energy: -151.738 flat angles P-C4'-P energy: -105.514 tors. eta vs tors. theta energy: -200.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.656 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2178.091655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.091655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.091655 (E_RNA) where: Base-Base interactions energy: -1483.123 where: short stacking energy: -643.540 Base-Backbone interact. energy: 3.020 local terms energy: -697.988929 where: bonds (distance) C4'-P energy: -130.071 bonds (distance) P-C4' energy: -139.747 flat angles C4'-P-C4' energy: -146.611 flat angles P-C4'-P energy: -91.344 tors. eta vs tors. theta energy: -190.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1995.243862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.243862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.243862 (E_RNA) where: Base-Base interactions energy: -1374.574 where: short stacking energy: -593.338 Base-Backbone interact. energy: 0.696 local terms energy: -621.366119 where: bonds (distance) C4'-P energy: -116.120 bonds (distance) P-C4' energy: -115.521 flat angles C4'-P-C4' energy: -141.740 flat angles P-C4'-P energy: -97.698 tors. eta vs tors. theta energy: -150.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1671.323569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.323569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.323569 (E_RNA) where: Base-Base interactions energy: -1075.920 where: short stacking energy: -489.858 Base-Backbone interact. energy: -0.321 local terms energy: -595.082785 where: bonds (distance) C4'-P energy: -130.104 bonds (distance) P-C4' energy: -118.273 flat angles C4'-P-C4' energy: -128.161 flat angles P-C4'-P energy: -97.602 tors. eta vs tors. theta energy: -120.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1490.633006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.633006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.633006 (E_RNA) where: Base-Base interactions energy: -961.947 where: short stacking energy: -459.196 Base-Backbone interact. energy: 1.942 local terms energy: -530.627908 where: bonds (distance) C4'-P energy: -134.869 bonds (distance) P-C4' energy: -130.095 flat angles C4'-P-C4' energy: -107.170 flat angles P-C4'-P energy: -74.960 tors. eta vs tors. theta energy: -83.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1003.392076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.392076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.392076 (E_RNA) where: Base-Base interactions energy: -540.623 where: short stacking energy: -267.601 Base-Backbone interact. energy: -2.022 local terms energy: -460.747396 where: bonds (distance) C4'-P energy: -139.180 bonds (distance) P-C4' energy: -120.312 flat angles C4'-P-C4' energy: -132.968 flat angles P-C4'-P energy: -53.582 tors. eta vs tors. theta energy: -14.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -739.543629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.543629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.543629 (E_RNA) where: Base-Base interactions energy: -368.934 where: short stacking energy: -204.376 Base-Backbone interact. energy: 0.846 local terms energy: -371.455006 where: bonds (distance) C4'-P energy: -114.009 bonds (distance) P-C4' energy: -121.421 flat angles C4'-P-C4' energy: -103.713 flat angles P-C4'-P energy: -44.013 tors. eta vs tors. theta energy: 11.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2611.112234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.112234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.112234 (E_RNA) where: Base-Base interactions energy: -1791.479 where: short stacking energy: -783.688 Base-Backbone interact. energy: -1.970 local terms energy: -817.662718 where: bonds (distance) C4'-P energy: -149.749 bonds (distance) P-C4' energy: -153.017 flat angles C4'-P-C4' energy: -170.002 flat angles P-C4'-P energy: -118.289 tors. eta vs tors. theta energy: -226.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2498.030679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.030679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.030679 (E_RNA) where: Base-Base interactions energy: -1745.287 where: short stacking energy: -735.440 Base-Backbone interact. energy: 0.335 local terms energy: -753.078272 where: bonds (distance) C4'-P energy: -144.324 bonds (distance) P-C4' energy: -140.703 flat angles C4'-P-C4' energy: -170.016 flat angles P-C4'-P energy: -88.354 tors. eta vs tors. theta energy: -209.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2430.096930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.096930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.096930 (E_RNA) where: Base-Base interactions energy: -1665.323 where: short stacking energy: -738.287 Base-Backbone interact. energy: 5.120 local terms energy: -769.893466 where: bonds (distance) C4'-P energy: -141.690 bonds (distance) P-C4' energy: -142.099 flat angles C4'-P-C4' energy: -172.215 flat angles P-C4'-P energy: -97.630 tors. eta vs tors. theta energy: -216.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2312.797676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.797676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.797676 (E_RNA) where: Base-Base interactions energy: -1565.030 where: short stacking energy: -662.451 Base-Backbone interact. energy: -2.155 local terms energy: -746.186487 where: bonds (distance) C4'-P energy: -139.602 bonds (distance) P-C4' energy: -150.733 flat angles C4'-P-C4' energy: -150.035 flat angles P-C4'-P energy: -105.537 tors. eta vs tors. theta energy: -200.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.574 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2211.831350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.831350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.831350 (E_RNA) where: Base-Base interactions energy: -1499.004 where: short stacking energy: -667.500 Base-Backbone interact. energy: 3.709 local terms energy: -716.536588 where: bonds (distance) C4'-P energy: -139.197 bonds (distance) P-C4' energy: -147.319 flat angles C4'-P-C4' energy: -150.560 flat angles P-C4'-P energy: -85.432 tors. eta vs tors. theta energy: -194.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2012.351633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.351633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.351633 (E_RNA) where: Base-Base interactions energy: -1338.935 where: short stacking energy: -586.637 Base-Backbone interact. energy: 0.698 local terms energy: -674.114469 where: bonds (distance) C4'-P energy: -133.724 bonds (distance) P-C4' energy: -146.768 flat angles C4'-P-C4' energy: -158.976 flat angles P-C4'-P energy: -93.932 tors. eta vs tors. theta energy: -140.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1656.452116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.452116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.452116 (E_RNA) where: Base-Base interactions energy: -1077.576 where: short stacking energy: -456.116 Base-Backbone interact. energy: -5.395 local terms energy: -573.480997 where: bonds (distance) C4'-P energy: -126.596 bonds (distance) P-C4' energy: -127.087 flat angles C4'-P-C4' energy: -139.062 flat angles P-C4'-P energy: -73.958 tors. eta vs tors. theta energy: -106.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1457.410415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.410415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.410415 (E_RNA) where: Base-Base interactions energy: -917.450 where: short stacking energy: -420.843 Base-Backbone interact. energy: 3.217 local terms energy: -543.177032 where: bonds (distance) C4'-P energy: -113.668 bonds (distance) P-C4' energy: -140.260 flat angles C4'-P-C4' energy: -125.692 flat angles P-C4'-P energy: -70.349 tors. eta vs tors. theta energy: -93.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -908.021255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.021255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.021255 (E_RNA) where: Base-Base interactions energy: -518.183 where: short stacking energy: -280.647 Base-Backbone interact. energy: -0.773 local terms energy: -389.065009 where: bonds (distance) C4'-P energy: -104.947 bonds (distance) P-C4' energy: -117.005 flat angles C4'-P-C4' energy: -95.350 flat angles P-C4'-P energy: -60.682 tors. eta vs tors. theta energy: -11.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -807.175067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.175067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.175067 (E_RNA) where: Base-Base interactions energy: -399.760 where: short stacking energy: -232.358 Base-Backbone interact. energy: 0.094 local terms energy: -407.508796 where: bonds (distance) C4'-P energy: -97.237 bonds (distance) P-C4' energy: -115.590 flat angles C4'-P-C4' energy: -113.293 flat angles P-C4'-P energy: -75.675 tors. eta vs tors. theta energy: -5.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2626.695567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.695567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.695567 (E_RNA) where: Base-Base interactions energy: -1808.954 where: short stacking energy: -766.522 Base-Backbone interact. energy: -1.992 local terms energy: -815.749493 where: bonds (distance) C4'-P energy: -140.222 bonds (distance) P-C4' energy: -154.347 flat angles C4'-P-C4' energy: -170.197 flat angles P-C4'-P energy: -122.237 tors. eta vs tors. theta energy: -228.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2482.883949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.883949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.883949 (E_RNA) where: Base-Base interactions energy: -1718.227 where: short stacking energy: -723.760 Base-Backbone interact. energy: -1.934 local terms energy: -762.722615 where: bonds (distance) C4'-P energy: -130.295 bonds (distance) P-C4' energy: -154.028 flat angles C4'-P-C4' energy: -160.253 flat angles P-C4'-P energy: -113.447 tors. eta vs tors. theta energy: -204.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2430.758232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.758232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.758232 (E_RNA) where: Base-Base interactions energy: -1649.075 where: short stacking energy: -719.312 Base-Backbone interact. energy: -1.959 local terms energy: -779.724250 where: bonds (distance) C4'-P energy: -142.662 bonds (distance) P-C4' energy: -161.823 flat angles C4'-P-C4' energy: -161.750 flat angles P-C4'-P energy: -110.295 tors. eta vs tors. theta energy: -203.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2343.493802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.493802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.493802 (E_RNA) where: Base-Base interactions energy: -1619.017 where: short stacking energy: -664.851 Base-Backbone interact. energy: -1.869 local terms energy: -722.607506 where: bonds (distance) C4'-P energy: -119.864 bonds (distance) P-C4' energy: -142.384 flat angles C4'-P-C4' energy: -159.055 flat angles P-C4'-P energy: -102.936 tors. eta vs tors. theta energy: -198.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2248.314834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.314834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.314834 (E_RNA) where: Base-Base interactions energy: -1572.362 where: short stacking energy: -682.185 Base-Backbone interact. energy: 3.470 local terms energy: -679.422321 where: bonds (distance) C4'-P energy: -118.246 bonds (distance) P-C4' energy: -114.587 flat angles C4'-P-C4' energy: -152.807 flat angles P-C4'-P energy: -95.314 tors. eta vs tors. theta energy: -198.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1931.611068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.611068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.611068 (E_RNA) where: Base-Base interactions energy: -1319.971 where: short stacking energy: -563.134 Base-Backbone interact. energy: -1.465 local terms energy: -610.174525 where: bonds (distance) C4'-P energy: -123.841 bonds (distance) P-C4' energy: -119.536 flat angles C4'-P-C4' energy: -138.575 flat angles P-C4'-P energy: -86.641 tors. eta vs tors. theta energy: -141.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1671.958417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.958417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.958417 (E_RNA) where: Base-Base interactions energy: -1129.808 where: short stacking energy: -495.184 Base-Backbone interact. energy: -6.023 local terms energy: -536.128327 where: bonds (distance) C4'-P energy: -112.108 bonds (distance) P-C4' energy: -116.892 flat angles C4'-P-C4' energy: -141.332 flat angles P-C4'-P energy: -56.319 tors. eta vs tors. theta energy: -109.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1419.866036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.866036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.866036 (E_RNA) where: Base-Base interactions energy: -859.965 where: short stacking energy: -359.980 Base-Backbone interact. energy: -1.744 local terms energy: -558.157480 where: bonds (distance) C4'-P energy: -124.898 bonds (distance) P-C4' energy: -138.714 flat angles C4'-P-C4' energy: -133.976 flat angles P-C4'-P energy: -100.813 tors. eta vs tors. theta energy: -59.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -956.722485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.722485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.722485 (E_RNA) where: Base-Base interactions energy: -532.543 where: short stacking energy: -285.247 Base-Backbone interact. energy: 3.069 local terms energy: -427.248063 where: bonds (distance) C4'-P energy: -104.231 bonds (distance) P-C4' energy: -114.490 flat angles C4'-P-C4' energy: -123.135 flat angles P-C4'-P energy: -66.863 tors. eta vs tors. theta energy: -18.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -758.431089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.431089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.431089 (E_RNA) where: Base-Base interactions energy: -353.495 where: short stacking energy: -200.636 Base-Backbone interact. energy: -3.585 local terms energy: -401.351236 where: bonds (distance) C4'-P energy: -109.083 bonds (distance) P-C4' energy: -130.063 flat angles C4'-P-C4' energy: -112.321 flat angles P-C4'-P energy: -70.126 tors. eta vs tors. theta energy: 20.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2671.097158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.097158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.097158 (E_RNA) where: Base-Base interactions energy: -1867.210 where: short stacking energy: -789.790 Base-Backbone interact. energy: -3.508 local terms energy: -800.379116 where: bonds (distance) C4'-P energy: -144.507 bonds (distance) P-C4' energy: -133.694 flat angles C4'-P-C4' energy: -174.778 flat angles P-C4'-P energy: -111.934 tors. eta vs tors. theta energy: -235.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2556.747782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.747782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.747782 (E_RNA) where: Base-Base interactions energy: -1761.034 where: short stacking energy: -750.485 Base-Backbone interact. energy: -2.931 local terms energy: -792.782838 where: bonds (distance) C4'-P energy: -141.242 bonds (distance) P-C4' energy: -147.604 flat angles C4'-P-C4' energy: -176.179 flat angles P-C4'-P energy: -119.303 tors. eta vs tors. theta energy: -208.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2428.387422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.387422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.387422 (E_RNA) where: Base-Base interactions energy: -1639.291 where: short stacking energy: -741.702 Base-Backbone interact. energy: -0.084 local terms energy: -789.012958 where: bonds (distance) C4'-P energy: -147.736 bonds (distance) P-C4' energy: -142.088 flat angles C4'-P-C4' energy: -169.157 flat angles P-C4'-P energy: -116.740 tors. eta vs tors. theta energy: -213.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2356.024523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.024523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.024523 (E_RNA) where: Base-Base interactions energy: -1641.753 where: short stacking energy: -719.077 Base-Backbone interact. energy: -1.049 local terms energy: -713.222712 where: bonds (distance) C4'-P energy: -126.655 bonds (distance) P-C4' energy: -126.508 flat angles C4'-P-C4' energy: -161.889 flat angles P-C4'-P energy: -85.105 tors. eta vs tors. theta energy: -213.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2193.055233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.055233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.055233 (E_RNA) where: Base-Base interactions energy: -1489.251 where: short stacking energy: -640.878 Base-Backbone interact. energy: 3.681 local terms energy: -707.486000 where: bonds (distance) C4'-P energy: -125.518 bonds (distance) P-C4' energy: -139.388 flat angles C4'-P-C4' energy: -163.998 flat angles P-C4'-P energy: -88.752 tors. eta vs tors. theta energy: -189.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2030.193209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.193209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.193209 (E_RNA) where: Base-Base interactions energy: -1368.353 where: short stacking energy: -604.644 Base-Backbone interact. energy: -3.672 local terms energy: -658.167953 where: bonds (distance) C4'-P energy: -112.428 bonds (distance) P-C4' energy: -135.004 flat angles C4'-P-C4' energy: -146.819 flat angles P-C4'-P energy: -89.369 tors. eta vs tors. theta energy: -174.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1701.879914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.879914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.879914 (E_RNA) where: Base-Base interactions energy: -1112.188 where: short stacking energy: -482.030 Base-Backbone interact. energy: 2.903 local terms energy: -592.594885 where: bonds (distance) C4'-P energy: -135.000 bonds (distance) P-C4' energy: -125.467 flat angles C4'-P-C4' energy: -120.591 flat angles P-C4'-P energy: -98.577 tors. eta vs tors. theta energy: -112.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1439.139844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.139844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.139844 (E_RNA) where: Base-Base interactions energy: -903.304 where: short stacking energy: -423.028 Base-Backbone interact. energy: -0.548 local terms energy: -535.288010 where: bonds (distance) C4'-P energy: -108.984 bonds (distance) P-C4' energy: -133.018 flat angles C4'-P-C4' energy: -114.943 flat angles P-C4'-P energy: -78.447 tors. eta vs tors. theta energy: -99.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -976.619166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.619166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.619166 (E_RNA) where: Base-Base interactions energy: -572.189 where: short stacking energy: -256.560 Base-Backbone interact. energy: -2.863 local terms energy: -401.567267 where: bonds (distance) C4'-P energy: -112.947 bonds (distance) P-C4' energy: -119.643 flat angles C4'-P-C4' energy: -88.077 flat angles P-C4'-P energy: -56.159 tors. eta vs tors. theta energy: -24.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -760.077126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.077126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.077126 (E_RNA) where: Base-Base interactions energy: -380.683 where: short stacking energy: -226.817 Base-Backbone interact. energy: 1.664 local terms energy: -381.058210 where: bonds (distance) C4'-P energy: -124.136 bonds (distance) P-C4' energy: -128.658 flat angles C4'-P-C4' energy: -78.118 flat angles P-C4'-P energy: -45.197 tors. eta vs tors. theta energy: -4.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2660.906426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.906426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.906426 (E_RNA) where: Base-Base interactions energy: -1851.837 where: short stacking energy: -777.366 Base-Backbone interact. energy: -1.736 local terms energy: -807.333061 where: bonds (distance) C4'-P energy: -147.818 bonds (distance) P-C4' energy: -151.767 flat angles C4'-P-C4' energy: -164.857 flat angles P-C4'-P energy: -109.785 tors. eta vs tors. theta energy: -233.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2504.985633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.985633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.985633 (E_RNA) where: Base-Base interactions energy: -1734.689 where: short stacking energy: -732.571 Base-Backbone interact. energy: -3.841 local terms energy: -766.455879 where: bonds (distance) C4'-P energy: -121.351 bonds (distance) P-C4' energy: -159.784 flat angles C4'-P-C4' energy: -167.993 flat angles P-C4'-P energy: -112.090 tors. eta vs tors. theta energy: -205.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2448.883959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.883959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.883959 (E_RNA) where: Base-Base interactions energy: -1687.729 where: short stacking energy: -748.531 Base-Backbone interact. energy: 6.255 local terms energy: -767.410062 where: bonds (distance) C4'-P energy: -129.247 bonds (distance) P-C4' energy: -139.277 flat angles C4'-P-C4' energy: -170.530 flat angles P-C4'-P energy: -110.633 tors. eta vs tors. theta energy: -217.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2282.790711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.790711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.790711 (E_RNA) where: Base-Base interactions energy: -1556.931 where: short stacking energy: -658.711 Base-Backbone interact. energy: -1.668 local terms energy: -724.191697 where: bonds (distance) C4'-P energy: -133.678 bonds (distance) P-C4' energy: -138.667 flat angles C4'-P-C4' energy: -157.613 flat angles P-C4'-P energy: -96.681 tors. eta vs tors. theta energy: -197.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2124.035567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.035567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.035567 (E_RNA) where: Base-Base interactions energy: -1440.077 where: short stacking energy: -621.506 Base-Backbone interact. energy: 0.571 local terms energy: -684.529253 where: bonds (distance) C4'-P energy: -116.537 bonds (distance) P-C4' energy: -123.728 flat angles C4'-P-C4' energy: -160.850 flat angles P-C4'-P energy: -106.483 tors. eta vs tors. theta energy: -176.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1956.165750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.165750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.165750 (E_RNA) where: Base-Base interactions energy: -1352.347 where: short stacking energy: -560.805 Base-Backbone interact. energy: -1.224 local terms energy: -602.594350 where: bonds (distance) C4'-P energy: -120.667 bonds (distance) P-C4' energy: -134.299 flat angles C4'-P-C4' energy: -136.850 flat angles P-C4'-P energy: -75.574 tors. eta vs tors. theta energy: -135.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1797.330412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.330412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.330412 (E_RNA) where: Base-Base interactions energy: -1229.666 where: short stacking energy: -485.017 Base-Backbone interact. energy: 4.541 local terms energy: -572.205589 where: bonds (distance) C4'-P energy: -115.200 bonds (distance) P-C4' energy: -126.330 flat angles C4'-P-C4' energy: -149.605 flat angles P-C4'-P energy: -75.683 tors. eta vs tors. theta energy: -105.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1409.847469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.847469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.847469 (E_RNA) where: Base-Base interactions energy: -887.193 where: short stacking energy: -387.687 Base-Backbone interact. energy: -3.348 local terms energy: -519.306913 where: bonds (distance) C4'-P energy: -128.272 bonds (distance) P-C4' energy: -139.947 flat angles C4'-P-C4' energy: -107.273 flat angles P-C4'-P energy: -63.245 tors. eta vs tors. theta energy: -80.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1026.223013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.223013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.223013 (E_RNA) where: Base-Base interactions energy: -569.408 where: short stacking energy: -293.554 Base-Backbone interact. energy: -0.668 local terms energy: -456.146374 where: bonds (distance) C4'-P energy: -110.718 bonds (distance) P-C4' energy: -121.715 flat angles C4'-P-C4' energy: -126.867 flat angles P-C4'-P energy: -71.345 tors. eta vs tors. theta energy: -25.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -843.762098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.762098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.762098 (E_RNA) where: Base-Base interactions energy: -442.107 where: short stacking energy: -237.341 Base-Backbone interact. energy: 6.833 local terms energy: -408.488075 where: bonds (distance) C4'-P energy: -116.792 bonds (distance) P-C4' energy: -123.466 flat angles C4'-P-C4' energy: -101.723 flat angles P-C4'-P energy: -58.715 tors. eta vs tors. theta energy: -7.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2629.057416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.057416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.057416 (E_RNA) where: Base-Base interactions energy: -1853.268 where: short stacking energy: -765.427 Base-Backbone interact. energy: 0.332 local terms energy: -776.121792 where: bonds (distance) C4'-P energy: -131.064 bonds (distance) P-C4' energy: -138.889 flat angles C4'-P-C4' energy: -177.223 flat angles P-C4'-P energy: -116.769 tors. eta vs tors. theta energy: -212.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2510.221256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.221256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.221256 (E_RNA) where: Base-Base interactions energy: -1734.759 where: short stacking energy: -753.897 Base-Backbone interact. energy: -2.333 local terms energy: -773.128896 where: bonds (distance) C4'-P energy: -150.181 bonds (distance) P-C4' energy: -137.212 flat angles C4'-P-C4' energy: -161.156 flat angles P-C4'-P energy: -98.370 tors. eta vs tors. theta energy: -226.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2442.428332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.428332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.428332 (E_RNA) where: Base-Base interactions energy: -1686.285 where: short stacking energy: -726.340 Base-Backbone interact. energy: -2.937 local terms energy: -753.206072 where: bonds (distance) C4'-P energy: -140.824 bonds (distance) P-C4' energy: -153.827 flat angles C4'-P-C4' energy: -159.672 flat angles P-C4'-P energy: -92.202 tors. eta vs tors. theta energy: -206.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2311.781430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.781430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.781430 (E_RNA) where: Base-Base interactions energy: -1581.251 where: short stacking energy: -684.965 Base-Backbone interact. energy: -0.837 local terms energy: -729.693093 where: bonds (distance) C4'-P energy: -147.803 bonds (distance) P-C4' energy: -136.451 flat angles C4'-P-C4' energy: -144.113 flat angles P-C4'-P energy: -105.364 tors. eta vs tors. theta energy: -195.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2155.159679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.159679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.159679 (E_RNA) where: Base-Base interactions energy: -1456.148 where: short stacking energy: -646.843 Base-Backbone interact. energy: -0.016 local terms energy: -698.994947 where: bonds (distance) C4'-P energy: -124.266 bonds (distance) P-C4' energy: -121.720 flat angles C4'-P-C4' energy: -158.029 flat angles P-C4'-P energy: -99.740 tors. eta vs tors. theta energy: -195.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2003.950187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.950187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.950187 (E_RNA) where: Base-Base interactions energy: -1367.204 where: short stacking energy: -585.787 Base-Backbone interact. energy: -2.288 local terms energy: -634.457289 where: bonds (distance) C4'-P energy: -114.039 bonds (distance) P-C4' energy: -147.254 flat angles C4'-P-C4' energy: -142.293 flat angles P-C4'-P energy: -92.127 tors. eta vs tors. theta energy: -138.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1725.557340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.557340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.557340 (E_RNA) where: Base-Base interactions energy: -1151.026 where: short stacking energy: -489.604 Base-Backbone interact. energy: -1.002 local terms energy: -573.529207 where: bonds (distance) C4'-P energy: -106.566 bonds (distance) P-C4' energy: -130.834 flat angles C4'-P-C4' energy: -147.026 flat angles P-C4'-P energy: -78.883 tors. eta vs tors. theta energy: -110.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1475.809148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.809148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.809148 (E_RNA) where: Base-Base interactions energy: -935.334 where: short stacking energy: -432.915 Base-Backbone interact. energy: -2.753 local terms energy: -537.722084 where: bonds (distance) C4'-P energy: -128.833 bonds (distance) P-C4' energy: -135.646 flat angles C4'-P-C4' energy: -124.760 flat angles P-C4'-P energy: -70.641 tors. eta vs tors. theta energy: -77.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1031.742071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.742071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.742071 (E_RNA) where: Base-Base interactions energy: -592.755 where: short stacking energy: -269.251 Base-Backbone interact. energy: 0.504 local terms energy: -439.491449 where: bonds (distance) C4'-P energy: -110.937 bonds (distance) P-C4' energy: -134.512 flat angles C4'-P-C4' energy: -107.340 flat angles P-C4'-P energy: -82.983 tors. eta vs tors. theta energy: -3.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -791.213814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.213814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.213814 (E_RNA) where: Base-Base interactions energy: -366.273 where: short stacking energy: -217.213 Base-Backbone interact. energy: 0.852 local terms energy: -425.793445 where: bonds (distance) C4'-P energy: -127.743 bonds (distance) P-C4' energy: -126.327 flat angles C4'-P-C4' energy: -114.999 flat angles P-C4'-P energy: -60.731 tors. eta vs tors. theta energy: 4.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2675.080578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.080578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.080578 (E_RNA) where: Base-Base interactions energy: -1883.259 where: short stacking energy: -784.698 Base-Backbone interact. energy: -1.699 local terms energy: -790.122047 where: bonds (distance) C4'-P energy: -148.641 bonds (distance) P-C4' energy: -150.648 flat angles C4'-P-C4' energy: -163.368 flat angles P-C4'-P energy: -102.711 tors. eta vs tors. theta energy: -224.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2510.206996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.206996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.206996 (E_RNA) where: Base-Base interactions energy: -1711.489 where: short stacking energy: -757.707 Base-Backbone interact. energy: -3.490 local terms energy: -795.227598 where: bonds (distance) C4'-P energy: -143.984 bonds (distance) P-C4' energy: -151.166 flat angles C4'-P-C4' energy: -172.209 flat angles P-C4'-P energy: -97.023 tors. eta vs tors. theta energy: -230.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2436.046112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.046112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.046112 (E_RNA) where: Base-Base interactions energy: -1696.810 where: short stacking energy: -706.075 Base-Backbone interact. energy: -2.158 local terms energy: -737.078277 where: bonds (distance) C4'-P energy: -111.869 bonds (distance) P-C4' energy: -149.132 flat angles C4'-P-C4' energy: -168.855 flat angles P-C4'-P energy: -115.243 tors. eta vs tors. theta energy: -191.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2330.647685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.647685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.647685 (E_RNA) where: Base-Base interactions energy: -1641.963 where: short stacking energy: -719.465 Base-Backbone interact. energy: -0.718 local terms energy: -687.966673 where: bonds (distance) C4'-P energy: -116.774 bonds (distance) P-C4' energy: -120.489 flat angles C4'-P-C4' energy: -145.685 flat angles P-C4'-P energy: -89.767 tors. eta vs tors. theta energy: -215.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2182.809272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.809272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.809272 (E_RNA) where: Base-Base interactions energy: -1475.419 where: short stacking energy: -657.839 Base-Backbone interact. energy: 2.634 local terms energy: -710.023880 where: bonds (distance) C4'-P energy: -131.183 bonds (distance) P-C4' energy: -124.242 flat angles C4'-P-C4' energy: -162.735 flat angles P-C4'-P energy: -104.833 tors. eta vs tors. theta energy: -187.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2010.318677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.318677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.318677 (E_RNA) where: Base-Base interactions energy: -1349.330 where: short stacking energy: -583.187 Base-Backbone interact. energy: 0.898 local terms energy: -661.886600 where: bonds (distance) C4'-P energy: -145.816 bonds (distance) P-C4' energy: -136.187 flat angles C4'-P-C4' energy: -133.286 flat angles P-C4'-P energy: -94.060 tors. eta vs tors. theta energy: -152.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1739.407681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.407681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.407681 (E_RNA) where: Base-Base interactions energy: -1171.356 where: short stacking energy: -474.974 Base-Backbone interact. energy: -0.533 local terms energy: -567.518501 where: bonds (distance) C4'-P energy: -119.001 bonds (distance) P-C4' energy: -127.214 flat angles C4'-P-C4' energy: -117.513 flat angles P-C4'-P energy: -79.985 tors. eta vs tors. theta energy: -123.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1429.621590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.621590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.621590 (E_RNA) where: Base-Base interactions energy: -870.633 where: short stacking energy: -418.779 Base-Backbone interact. energy: -2.868 local terms energy: -556.121365 where: bonds (distance) C4'-P energy: -127.930 bonds (distance) P-C4' energy: -128.725 flat angles C4'-P-C4' energy: -138.213 flat angles P-C4'-P energy: -71.716 tors. eta vs tors. theta energy: -89.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1108.601032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.601032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.601032 (E_RNA) where: Base-Base interactions energy: -677.407 where: short stacking energy: -340.346 Base-Backbone interact. energy: -0.615 local terms energy: -430.578876 where: bonds (distance) C4'-P energy: -119.082 bonds (distance) P-C4' energy: -118.778 flat angles C4'-P-C4' energy: -117.580 flat angles P-C4'-P energy: -49.163 tors. eta vs tors. theta energy: -25.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -826.751623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.751623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.751623 (E_RNA) where: Base-Base interactions energy: -415.255 where: short stacking energy: -211.714 Base-Backbone interact. energy: 2.677 local terms energy: -414.173049 where: bonds (distance) C4'-P energy: -136.606 bonds (distance) P-C4' energy: -142.468 flat angles C4'-P-C4' energy: -94.081 flat angles P-C4'-P energy: -64.567 tors. eta vs tors. theta energy: 23.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2724.101036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.101036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.101036 (E_RNA) where: Base-Base interactions energy: -1892.712 where: short stacking energy: -785.976 Base-Backbone interact. energy: -1.813 local terms energy: -829.575863 where: bonds (distance) C4'-P energy: -145.960 bonds (distance) P-C4' energy: -152.032 flat angles C4'-P-C4' energy: -180.793 flat angles P-C4'-P energy: -117.821 tors. eta vs tors. theta energy: -232.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2509.889140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.889140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.889140 (E_RNA) where: Base-Base interactions energy: -1702.170 where: short stacking energy: -758.632 Base-Backbone interact. energy: -2.297 local terms energy: -805.421749 where: bonds (distance) C4'-P energy: -156.503 bonds (distance) P-C4' energy: -151.334 flat angles C4'-P-C4' energy: -159.604 flat angles P-C4'-P energy: -110.921 tors. eta vs tors. theta energy: -227.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2419.371671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.371671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.371671 (E_RNA) where: Base-Base interactions energy: -1682.554 where: short stacking energy: -694.648 Base-Backbone interact. energy: 1.706 local terms energy: -738.524132 where: bonds (distance) C4'-P energy: -133.758 bonds (distance) P-C4' energy: -149.467 flat angles C4'-P-C4' energy: -145.969 flat angles P-C4'-P energy: -112.173 tors. eta vs tors. theta energy: -197.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2345.349523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.349523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.349523 (E_RNA) where: Base-Base interactions energy: -1621.359 where: short stacking energy: -701.883 Base-Backbone interact. energy: -2.036 local terms energy: -724.218833 where: bonds (distance) C4'-P energy: -127.868 bonds (distance) P-C4' energy: -150.455 flat angles C4'-P-C4' energy: -147.071 flat angles P-C4'-P energy: -97.674 tors. eta vs tors. theta energy: -201.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.263 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2161.493993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.493993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.493993 (E_RNA) where: Base-Base interactions energy: -1471.028 where: short stacking energy: -634.566 Base-Backbone interact. energy: 2.231 local terms energy: -692.696364 where: bonds (distance) C4'-P energy: -129.836 bonds (distance) P-C4' energy: -137.318 flat angles C4'-P-C4' energy: -147.962 flat angles P-C4'-P energy: -93.312 tors. eta vs tors. theta energy: -184.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2061.393801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.393801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.393801 (E_RNA) where: Base-Base interactions energy: -1392.651 where: short stacking energy: -591.371 Base-Backbone interact. energy: -2.358 local terms energy: -666.384700 where: bonds (distance) C4'-P energy: -139.096 bonds (distance) P-C4' energy: -121.419 flat angles C4'-P-C4' energy: -142.496 flat angles P-C4'-P energy: -102.834 tors. eta vs tors. theta energy: -160.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1717.989054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.989054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.989054 (E_RNA) where: Base-Base interactions energy: -1131.149 where: short stacking energy: -459.014 Base-Backbone interact. energy: -2.188 local terms energy: -584.651625 where: bonds (distance) C4'-P energy: -120.542 bonds (distance) P-C4' energy: -132.866 flat angles C4'-P-C4' energy: -142.539 flat angles P-C4'-P energy: -88.306 tors. eta vs tors. theta energy: -100.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1373.718765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.718765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.718765 (E_RNA) where: Base-Base interactions energy: -858.128 where: short stacking energy: -365.718 Base-Backbone interact. energy: 0.825 local terms energy: -516.416283 where: bonds (distance) C4'-P energy: -126.390 bonds (distance) P-C4' energy: -111.506 flat angles C4'-P-C4' energy: -137.852 flat angles P-C4'-P energy: -74.627 tors. eta vs tors. theta energy: -66.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1101.186184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.186184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.186184 (E_RNA) where: Base-Base interactions energy: -649.311 where: short stacking energy: -297.662 Base-Backbone interact. energy: -2.749 local terms energy: -449.126151 where: bonds (distance) C4'-P energy: -122.074 bonds (distance) P-C4' energy: -130.933 flat angles C4'-P-C4' energy: -89.872 flat angles P-C4'-P energy: -80.020 tors. eta vs tors. theta energy: -26.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -820.100500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.100500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.100500 (E_RNA) where: Base-Base interactions energy: -415.535 where: short stacking energy: -220.214 Base-Backbone interact. energy: -2.912 local terms energy: -401.653833 where: bonds (distance) C4'-P energy: -126.212 bonds (distance) P-C4' energy: -124.364 flat angles C4'-P-C4' energy: -89.782 flat angles P-C4'-P energy: -64.497 tors. eta vs tors. theta energy: 3.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2694.541238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.541238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.541238 (E_RNA) where: Base-Base interactions energy: -1866.749 where: short stacking energy: -777.995 Base-Backbone interact. energy: -1.795 local terms energy: -825.997190 where: bonds (distance) C4'-P energy: -141.346 bonds (distance) P-C4' energy: -158.617 flat angles C4'-P-C4' energy: -179.193 flat angles P-C4'-P energy: -112.042 tors. eta vs tors. theta energy: -234.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2495.303633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.303633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.303633 (E_RNA) where: Base-Base interactions energy: -1682.835 where: short stacking energy: -749.978 Base-Backbone interact. energy: -2.890 local terms energy: -809.579016 where: bonds (distance) C4'-P energy: -164.428 bonds (distance) P-C4' energy: -145.936 flat angles C4'-P-C4' energy: -161.669 flat angles P-C4'-P energy: -111.877 tors. eta vs tors. theta energy: -225.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2420.203384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.203384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.203384 (E_RNA) where: Base-Base interactions energy: -1681.523 where: short stacking energy: -733.691 Base-Backbone interact. energy: -1.826 local terms energy: -736.854710 where: bonds (distance) C4'-P energy: -123.876 bonds (distance) P-C4' energy: -142.587 flat angles C4'-P-C4' energy: -153.135 flat angles P-C4'-P energy: -118.910 tors. eta vs tors. theta energy: -198.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2361.733869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.733869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.733869 (E_RNA) where: Base-Base interactions energy: -1616.596 where: short stacking energy: -692.516 Base-Backbone interact. energy: -5.533 local terms energy: -739.605164 where: bonds (distance) C4'-P energy: -122.489 bonds (distance) P-C4' energy: -131.912 flat angles C4'-P-C4' energy: -169.872 flat angles P-C4'-P energy: -108.309 tors. eta vs tors. theta energy: -207.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2218.906657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.906657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.906657 (E_RNA) where: Base-Base interactions energy: -1492.030 where: short stacking energy: -643.015 Base-Backbone interact. energy: -2.026 local terms energy: -724.850720 where: bonds (distance) C4'-P energy: -146.979 bonds (distance) P-C4' energy: -120.958 flat angles C4'-P-C4' energy: -167.901 flat angles P-C4'-P energy: -106.387 tors. eta vs tors. theta energy: -182.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2031.028143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.028143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.028143 (E_RNA) where: Base-Base interactions energy: -1380.292 where: short stacking energy: -600.977 Base-Backbone interact. energy: -3.384 local terms energy: -647.352365 where: bonds (distance) C4'-P energy: -126.344 bonds (distance) P-C4' energy: -126.824 flat angles C4'-P-C4' energy: -149.071 flat angles P-C4'-P energy: -85.411 tors. eta vs tors. theta energy: -159.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1777.271205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.271205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.271205 (E_RNA) where: Base-Base interactions energy: -1189.414 where: short stacking energy: -486.667 Base-Backbone interact. energy: -2.122 local terms energy: -585.734438 where: bonds (distance) C4'-P energy: -133.158 bonds (distance) P-C4' energy: -137.504 flat angles C4'-P-C4' energy: -133.592 flat angles P-C4'-P energy: -73.109 tors. eta vs tors. theta energy: -108.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1503.415476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.415476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.415476 (E_RNA) where: Base-Base interactions energy: -976.669 where: short stacking energy: -456.699 Base-Backbone interact. energy: -0.139 local terms energy: -526.607093 where: bonds (distance) C4'-P energy: -95.822 bonds (distance) P-C4' energy: -135.172 flat angles C4'-P-C4' energy: -136.459 flat angles P-C4'-P energy: -62.824 tors. eta vs tors. theta energy: -96.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1077.892162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.892162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.892162 (E_RNA) where: Base-Base interactions energy: -596.746 where: short stacking energy: -306.022 Base-Backbone interact. energy: -2.538 local terms energy: -478.607730 where: bonds (distance) C4'-P energy: -125.517 bonds (distance) P-C4' energy: -127.751 flat angles C4'-P-C4' energy: -97.690 flat angles P-C4'-P energy: -76.853 tors. eta vs tors. theta energy: -50.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -960.914585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.914585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.914585 (E_RNA) where: Base-Base interactions energy: -521.991 where: short stacking energy: -285.221 Base-Backbone interact. energy: 0.670 local terms energy: -439.593509 where: bonds (distance) C4'-P energy: -105.401 bonds (distance) P-C4' energy: -133.907 flat angles C4'-P-C4' energy: -112.970 flat angles P-C4'-P energy: -69.326 tors. eta vs tors. theta energy: -17.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2678.189305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.189305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.189305 (E_RNA) where: Base-Base interactions energy: -1866.196 where: short stacking energy: -761.240 Base-Backbone interact. energy: -2.595 local terms energy: -809.398689 where: bonds (distance) C4'-P energy: -153.332 bonds (distance) P-C4' energy: -164.886 flat angles C4'-P-C4' energy: -161.362 flat angles P-C4'-P energy: -104.378 tors. eta vs tors. theta energy: -225.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2543.329483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.329483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.329483 (E_RNA) where: Base-Base interactions energy: -1733.218 where: short stacking energy: -766.957 Base-Backbone interact. energy: -3.165 local terms energy: -806.946684 where: bonds (distance) C4'-P energy: -136.643 bonds (distance) P-C4' energy: -164.568 flat angles C4'-P-C4' energy: -167.002 flat angles P-C4'-P energy: -112.955 tors. eta vs tors. theta energy: -225.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2423.309571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.309571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.309571 (E_RNA) where: Base-Base interactions energy: -1668.461 where: short stacking energy: -715.126 Base-Backbone interact. energy: -4.184 local terms energy: -750.664580 where: bonds (distance) C4'-P energy: -139.384 bonds (distance) P-C4' energy: -149.453 flat angles C4'-P-C4' energy: -165.412 flat angles P-C4'-P energy: -94.915 tors. eta vs tors. theta energy: -201.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2339.047396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.047396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.047396 (E_RNA) where: Base-Base interactions energy: -1588.836 where: short stacking energy: -711.371 Base-Backbone interact. energy: -3.439 local terms energy: -746.772927 where: bonds (distance) C4'-P energy: -154.560 bonds (distance) P-C4' energy: -123.140 flat angles C4'-P-C4' energy: -160.945 flat angles P-C4'-P energy: -97.562 tors. eta vs tors. theta energy: -210.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2228.685693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.685693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.685693 (E_RNA) where: Base-Base interactions energy: -1502.981 where: short stacking energy: -671.010 Base-Backbone interact. energy: -3.224 local terms energy: -722.480182 where: bonds (distance) C4'-P energy: -124.810 bonds (distance) P-C4' energy: -128.577 flat angles C4'-P-C4' energy: -157.884 flat angles P-C4'-P energy: -100.306 tors. eta vs tors. theta energy: -210.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1996.570274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.570274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.570274 (E_RNA) where: Base-Base interactions energy: -1346.597 where: short stacking energy: -552.571 Base-Backbone interact. energy: 0.854 local terms energy: -650.827456 where: bonds (distance) C4'-P energy: -123.562 bonds (distance) P-C4' energy: -130.959 flat angles C4'-P-C4' energy: -144.649 flat angles P-C4'-P energy: -97.913 tors. eta vs tors. theta energy: -153.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1685.902770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.902770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.902770 (E_RNA) where: Base-Base interactions energy: -1095.229 where: short stacking energy: -468.618 Base-Backbone interact. energy: -0.165 local terms energy: -590.509453 where: bonds (distance) C4'-P energy: -110.504 bonds (distance) P-C4' energy: -129.634 flat angles C4'-P-C4' energy: -142.711 flat angles P-C4'-P energy: -89.054 tors. eta vs tors. theta energy: -118.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1446.657400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.657400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.657400 (E_RNA) where: Base-Base interactions energy: -917.184 where: short stacking energy: -399.235 Base-Backbone interact. energy: 0.687 local terms energy: -531.013799 where: bonds (distance) C4'-P energy: -109.147 bonds (distance) P-C4' energy: -135.787 flat angles C4'-P-C4' energy: -119.864 flat angles P-C4'-P energy: -92.387 tors. eta vs tors. theta energy: -73.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.853 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1129.429039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.429039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.429039 (E_RNA) where: Base-Base interactions energy: -664.926 where: short stacking energy: -356.593 Base-Backbone interact. energy: 7.036 local terms energy: -471.539002 where: bonds (distance) C4'-P energy: -100.059 bonds (distance) P-C4' energy: -133.150 flat angles C4'-P-C4' energy: -117.634 flat angles P-C4'-P energy: -70.854 tors. eta vs tors. theta energy: -49.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -841.061449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.061449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.061449 (E_RNA) where: Base-Base interactions energy: -446.699 where: short stacking energy: -221.973 Base-Backbone interact. energy: 6.527 local terms energy: -400.888793 where: bonds (distance) C4'-P energy: -107.252 bonds (distance) P-C4' energy: -124.168 flat angles C4'-P-C4' energy: -118.082 flat angles P-C4'-P energy: -58.923 tors. eta vs tors. theta energy: 7.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2686.470484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.470484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.470484 (E_RNA) where: Base-Base interactions energy: -1880.353 where: short stacking energy: -762.330 Base-Backbone interact. energy: -0.419 local terms energy: -805.698822 where: bonds (distance) C4'-P energy: -147.516 bonds (distance) P-C4' energy: -140.968 flat angles C4'-P-C4' energy: -160.500 flat angles P-C4'-P energy: -119.282 tors. eta vs tors. theta energy: -237.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2529.256628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.256628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.256628 (E_RNA) where: Base-Base interactions energy: -1729.170 where: short stacking energy: -770.706 Base-Backbone interact. energy: -2.262 local terms energy: -797.824024 where: bonds (distance) C4'-P energy: -158.177 bonds (distance) P-C4' energy: -133.412 flat angles C4'-P-C4' energy: -165.071 flat angles P-C4'-P energy: -106.527 tors. eta vs tors. theta energy: -234.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2401.173334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.173334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.173334 (E_RNA) where: Base-Base interactions energy: -1649.224 where: short stacking energy: -687.301 Base-Backbone interact. energy: -1.849 local terms energy: -750.100462 where: bonds (distance) C4'-P energy: -133.620 bonds (distance) P-C4' energy: -143.603 flat angles C4'-P-C4' energy: -167.592 flat angles P-C4'-P energy: -107.543 tors. eta vs tors. theta energy: -197.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2303.229271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.229271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.229271 (E_RNA) where: Base-Base interactions energy: -1570.909 where: short stacking energy: -671.365 Base-Backbone interact. energy: -1.730 local terms energy: -730.590908 where: bonds (distance) C4'-P energy: -132.433 bonds (distance) P-C4' energy: -141.933 flat angles C4'-P-C4' energy: -154.493 flat angles P-C4'-P energy: -98.844 tors. eta vs tors. theta energy: -202.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2176.639819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.639819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.639819 (E_RNA) where: Base-Base interactions energy: -1462.344 where: short stacking energy: -624.951 Base-Backbone interact. energy: -2.629 local terms energy: -711.666825 where: bonds (distance) C4'-P energy: -144.969 bonds (distance) P-C4' energy: -142.407 flat angles C4'-P-C4' energy: -144.537 flat angles P-C4'-P energy: -98.509 tors. eta vs tors. theta energy: -181.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2050.177335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.177335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.177335 (E_RNA) where: Base-Base interactions energy: -1400.597 where: short stacking energy: -615.936 Base-Backbone interact. energy: 5.304 local terms energy: -654.884257 where: bonds (distance) C4'-P energy: -127.526 bonds (distance) P-C4' energy: -128.103 flat angles C4'-P-C4' energy: -142.232 flat angles P-C4'-P energy: -86.019 tors. eta vs tors. theta energy: -171.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1702.389177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.389177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.389177 (E_RNA) where: Base-Base interactions energy: -1141.593 where: short stacking energy: -504.916 Base-Backbone interact. energy: 0.965 local terms energy: -561.760660 where: bonds (distance) C4'-P energy: -111.336 bonds (distance) P-C4' energy: -130.713 flat angles C4'-P-C4' energy: -135.973 flat angles P-C4'-P energy: -70.553 tors. eta vs tors. theta energy: -113.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1459.912248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.912248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.912248 (E_RNA) where: Base-Base interactions energy: -933.250 where: short stacking energy: -411.206 Base-Backbone interact. energy: -0.360 local terms energy: -526.302086 where: bonds (distance) C4'-P energy: -103.973 bonds (distance) P-C4' energy: -123.639 flat angles C4'-P-C4' energy: -125.721 flat angles P-C4'-P energy: -80.416 tors. eta vs tors. theta energy: -92.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1157.281247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.281247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.281247 (E_RNA) where: Base-Base interactions energy: -692.215 where: short stacking energy: -333.888 Base-Backbone interact. energy: 1.535 local terms energy: -466.601203 where: bonds (distance) C4'-P energy: -134.025 bonds (distance) P-C4' energy: -122.021 flat angles C4'-P-C4' energy: -117.880 flat angles P-C4'-P energy: -59.585 tors. eta vs tors. theta energy: -33.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -904.548482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.548482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.548482 (E_RNA) where: Base-Base interactions energy: -479.452 where: short stacking energy: -271.469 Base-Backbone interact. energy: 3.788 local terms energy: -428.884919 where: bonds (distance) C4'-P energy: -122.158 bonds (distance) P-C4' energy: -125.607 flat angles C4'-P-C4' energy: -95.647 flat angles P-C4'-P energy: -70.141 tors. eta vs tors. theta energy: -15.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2657.935573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.935573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.935573 (E_RNA) where: Base-Base interactions energy: -1881.152 where: short stacking energy: -768.703 Base-Backbone interact. energy: -2.493 local terms energy: -774.291219 where: bonds (distance) C4'-P energy: -144.298 bonds (distance) P-C4' energy: -143.542 flat angles C4'-P-C4' energy: -156.275 flat angles P-C4'-P energy: -112.438 tors. eta vs tors. theta energy: -217.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2493.260529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.260529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.260529 (E_RNA) where: Base-Base interactions energy: -1706.970 where: short stacking energy: -751.251 Base-Backbone interact. energy: -3.579 local terms energy: -782.711739 where: bonds (distance) C4'-P energy: -142.849 bonds (distance) P-C4' energy: -156.219 flat angles C4'-P-C4' energy: -159.250 flat angles P-C4'-P energy: -106.852 tors. eta vs tors. theta energy: -217.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2404.423478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.423478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.423478 (E_RNA) where: Base-Base interactions energy: -1677.092 where: short stacking energy: -694.868 Base-Backbone interact. energy: 2.157 local terms energy: -729.488823 where: bonds (distance) C4'-P energy: -131.336 bonds (distance) P-C4' energy: -142.173 flat angles C4'-P-C4' energy: -168.868 flat angles P-C4'-P energy: -88.970 tors. eta vs tors. theta energy: -198.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2307.239759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.239759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.239759 (E_RNA) where: Base-Base interactions energy: -1551.527 where: short stacking energy: -658.335 Base-Backbone interact. energy: -1.939 local terms energy: -753.774066 where: bonds (distance) C4'-P energy: -147.022 bonds (distance) P-C4' energy: -146.389 flat angles C4'-P-C4' energy: -155.955 flat angles P-C4'-P energy: -110.792 tors. eta vs tors. theta energy: -193.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2195.144228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.144228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.144228 (E_RNA) where: Base-Base interactions energy: -1507.319 where: short stacking energy: -680.934 Base-Backbone interact. energy: -2.820 local terms energy: -685.005410 where: bonds (distance) C4'-P energy: -130.227 bonds (distance) P-C4' energy: -116.943 flat angles C4'-P-C4' energy: -154.182 flat angles P-C4'-P energy: -92.605 tors. eta vs tors. theta energy: -191.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2015.281926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.281926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.281926 (E_RNA) where: Base-Base interactions energy: -1365.392 where: short stacking energy: -584.871 Base-Backbone interact. energy: -1.663 local terms energy: -648.226519 where: bonds (distance) C4'-P energy: -122.069 bonds (distance) P-C4' energy: -140.605 flat angles C4'-P-C4' energy: -158.279 flat angles P-C4'-P energy: -71.744 tors. eta vs tors. theta energy: -155.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1742.001629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.001629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.001629 (E_RNA) where: Base-Base interactions energy: -1163.396 where: short stacking energy: -509.534 Base-Backbone interact. energy: -2.586 local terms energy: -576.020191 where: bonds (distance) C4'-P energy: -101.136 bonds (distance) P-C4' energy: -139.216 flat angles C4'-P-C4' energy: -127.062 flat angles P-C4'-P energy: -83.234 tors. eta vs tors. theta energy: -125.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1406.177577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.177577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.177577 (E_RNA) where: Base-Base interactions energy: -896.313 where: short stacking energy: -410.318 Base-Backbone interact. energy: 2.348 local terms energy: -512.212260 where: bonds (distance) C4'-P energy: -111.817 bonds (distance) P-C4' energy: -126.840 flat angles C4'-P-C4' energy: -117.702 flat angles P-C4'-P energy: -79.950 tors. eta vs tors. theta energy: -75.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1155.911858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.911858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.911858 (E_RNA) where: Base-Base interactions energy: -640.944 where: short stacking energy: -332.710 Base-Backbone interact. energy: 0.513 local terms energy: -515.480517 where: bonds (distance) C4'-P energy: -120.574 bonds (distance) P-C4' energy: -127.373 flat angles C4'-P-C4' energy: -134.470 flat angles P-C4'-P energy: -84.841 tors. eta vs tors. theta energy: -48.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -901.373082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.373082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.373082 (E_RNA) where: Base-Base interactions energy: -496.550 where: short stacking energy: -251.996 Base-Backbone interact. energy: 0.563 local terms energy: -405.386331 where: bonds (distance) C4'-P energy: -127.305 bonds (distance) P-C4' energy: -108.690 flat angles C4'-P-C4' energy: -119.031 flat angles P-C4'-P energy: -59.804 tors. eta vs tors. theta energy: 9.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2675.430565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.430565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.430565 (E_RNA) where: Base-Base interactions energy: -1875.969 where: short stacking energy: -778.667 Base-Backbone interact. energy: 1.133 local terms energy: -800.595208 where: bonds (distance) C4'-P energy: -155.545 bonds (distance) P-C4' energy: -153.057 flat angles C4'-P-C4' energy: -155.093 flat angles P-C4'-P energy: -116.350 tors. eta vs tors. theta energy: -220.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2482.414403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.414403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.414403 (E_RNA) where: Base-Base interactions energy: -1695.679 where: short stacking energy: -742.145 Base-Backbone interact. energy: -2.363 local terms energy: -784.372767 where: bonds (distance) C4'-P energy: -142.994 bonds (distance) P-C4' energy: -152.650 flat angles C4'-P-C4' energy: -157.067 flat angles P-C4'-P energy: -114.818 tors. eta vs tors. theta energy: -216.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2384.844948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.844948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.844948 (E_RNA) where: Base-Base interactions energy: -1654.387 where: short stacking energy: -674.707 Base-Backbone interact. energy: -0.293 local terms energy: -730.164776 where: bonds (distance) C4'-P energy: -139.339 bonds (distance) P-C4' energy: -144.549 flat angles C4'-P-C4' energy: -149.696 flat angles P-C4'-P energy: -116.332 tors. eta vs tors. theta energy: -180.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2334.798494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.798494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.798494 (E_RNA) where: Base-Base interactions energy: -1591.153 where: short stacking energy: -711.869 Base-Backbone interact. energy: -5.555 local terms energy: -738.402143 where: bonds (distance) C4'-P energy: -115.141 bonds (distance) P-C4' energy: -152.090 flat angles C4'-P-C4' energy: -165.842 flat angles P-C4'-P energy: -100.854 tors. eta vs tors. theta energy: -204.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.311 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2201.029426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.029426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.029426 (E_RNA) where: Base-Base interactions energy: -1516.217 where: short stacking energy: -682.060 Base-Backbone interact. energy: -0.142 local terms energy: -684.669772 where: bonds (distance) C4'-P energy: -144.423 bonds (distance) P-C4' energy: -125.592 flat angles C4'-P-C4' energy: -138.341 flat angles P-C4'-P energy: -80.740 tors. eta vs tors. theta energy: -195.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2020.912115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.912115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.912115 (E_RNA) where: Base-Base interactions energy: -1359.040 where: short stacking energy: -575.222 Base-Backbone interact. energy: -1.405 local terms energy: -660.467358 where: bonds (distance) C4'-P energy: -136.756 bonds (distance) P-C4' energy: -113.986 flat angles C4'-P-C4' energy: -144.256 flat angles P-C4'-P energy: -91.226 tors. eta vs tors. theta energy: -174.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1654.104088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.104088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.104088 (E_RNA) where: Base-Base interactions energy: -1106.511 where: short stacking energy: -460.366 Base-Backbone interact. energy: -1.510 local terms energy: -546.083461 where: bonds (distance) C4'-P energy: -125.340 bonds (distance) P-C4' energy: -128.233 flat angles C4'-P-C4' energy: -123.920 flat angles P-C4'-P energy: -77.745 tors. eta vs tors. theta energy: -90.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1419.828821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.828821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.828821 (E_RNA) where: Base-Base interactions energy: -890.048 where: short stacking energy: -407.014 Base-Backbone interact. energy: 0.763 local terms energy: -530.544016 where: bonds (distance) C4'-P energy: -119.979 bonds (distance) P-C4' energy: -135.885 flat angles C4'-P-C4' energy: -122.998 flat angles P-C4'-P energy: -79.304 tors. eta vs tors. theta energy: -72.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1157.059109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.059109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.059109 (E_RNA) where: Base-Base interactions energy: -683.647 where: short stacking energy: -320.210 Base-Backbone interact. energy: -2.015 local terms energy: -471.396401 where: bonds (distance) C4'-P energy: -107.730 bonds (distance) P-C4' energy: -128.646 flat angles C4'-P-C4' energy: -119.614 flat angles P-C4'-P energy: -72.929 tors. eta vs tors. theta energy: -42.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -903.530964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.530964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.530964 (E_RNA) where: Base-Base interactions energy: -499.061 where: short stacking energy: -275.637 Base-Backbone interact. energy: -3.715 local terms energy: -400.754808 where: bonds (distance) C4'-P energy: -115.310 bonds (distance) P-C4' energy: -109.193 flat angles C4'-P-C4' energy: -103.669 flat angles P-C4'-P energy: -62.615 tors. eta vs tors. theta energy: -9.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2684.164770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.164770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.164770 (E_RNA) where: Base-Base interactions energy: -1873.825 where: short stacking energy: -774.500 Base-Backbone interact. energy: 0.589 local terms energy: -810.928942 where: bonds (distance) C4'-P energy: -142.447 bonds (distance) P-C4' energy: -155.303 flat angles C4'-P-C4' energy: -168.716 flat angles P-C4'-P energy: -110.383 tors. eta vs tors. theta energy: -234.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2485.225194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.225194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.225194 (E_RNA) where: Base-Base interactions energy: -1672.705 where: short stacking energy: -710.739 Base-Backbone interact. energy: -3.985 local terms energy: -808.535053 where: bonds (distance) C4'-P energy: -147.180 bonds (distance) P-C4' energy: -163.993 flat angles C4'-P-C4' energy: -164.565 flat angles P-C4'-P energy: -120.965 tors. eta vs tors. theta energy: -211.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2404.339236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.339236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.339236 (E_RNA) where: Base-Base interactions energy: -1659.969 where: short stacking energy: -687.742 Base-Backbone interact. energy: -2.449 local terms energy: -741.921093 where: bonds (distance) C4'-P energy: -130.304 bonds (distance) P-C4' energy: -147.236 flat angles C4'-P-C4' energy: -173.966 flat angles P-C4'-P energy: -105.339 tors. eta vs tors. theta energy: -185.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2360.681437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.681437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.681437 (E_RNA) where: Base-Base interactions energy: -1614.383 where: short stacking energy: -697.316 Base-Backbone interact. energy: -4.669 local terms energy: -741.629566 where: bonds (distance) C4'-P energy: -121.727 bonds (distance) P-C4' energy: -149.647 flat angles C4'-P-C4' energy: -163.319 flat angles P-C4'-P energy: -106.144 tors. eta vs tors. theta energy: -200.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2232.691910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.691910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.691910 (E_RNA) where: Base-Base interactions energy: -1507.943 where: short stacking energy: -665.364 Base-Backbone interact. energy: -1.907 local terms energy: -722.842028 where: bonds (distance) C4'-P energy: -142.875 bonds (distance) P-C4' energy: -144.047 flat angles C4'-P-C4' energy: -155.329 flat angles P-C4'-P energy: -89.103 tors. eta vs tors. theta energy: -191.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2012.298604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.298604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.298604 (E_RNA) where: Base-Base interactions energy: -1330.249 where: short stacking energy: -570.556 Base-Backbone interact. energy: -2.661 local terms energy: -679.388180 where: bonds (distance) C4'-P energy: -135.386 bonds (distance) P-C4' energy: -131.512 flat angles C4'-P-C4' energy: -151.547 flat angles P-C4'-P energy: -102.178 tors. eta vs tors. theta energy: -158.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1563.688300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.688300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.688300 (E_RNA) where: Base-Base interactions energy: -1026.933 where: short stacking energy: -437.751 Base-Backbone interact. energy: 6.199 local terms energy: -542.954861 where: bonds (distance) C4'-P energy: -108.963 bonds (distance) P-C4' energy: -121.160 flat angles C4'-P-C4' energy: -141.789 flat angles P-C4'-P energy: -87.214 tors. eta vs tors. theta energy: -83.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1422.378599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.378599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.378599 (E_RNA) where: Base-Base interactions energy: -930.197 where: short stacking energy: -445.346 Base-Backbone interact. energy: -1.856 local terms energy: -490.325727 where: bonds (distance) C4'-P energy: -109.113 bonds (distance) P-C4' energy: -111.248 flat angles C4'-P-C4' energy: -120.011 flat angles P-C4'-P energy: -62.964 tors. eta vs tors. theta energy: -86.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1179.927949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.927949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.927949 (E_RNA) where: Base-Base interactions energy: -692.968 where: short stacking energy: -343.551 Base-Backbone interact. energy: -0.382 local terms energy: -486.578007 where: bonds (distance) C4'-P energy: -114.753 bonds (distance) P-C4' energy: -127.602 flat angles C4'-P-C4' energy: -111.203 flat angles P-C4'-P energy: -69.531 tors. eta vs tors. theta energy: -63.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -869.592684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.592684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.592684 (E_RNA) where: Base-Base interactions energy: -439.937 where: short stacking energy: -228.817 Base-Backbone interact. energy: -4.083 local terms energy: -425.572568 where: bonds (distance) C4'-P energy: -110.622 bonds (distance) P-C4' energy: -143.129 flat angles C4'-P-C4' energy: -109.597 flat angles P-C4'-P energy: -48.947 tors. eta vs tors. theta energy: -13.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2710.606049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.606049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.606049 (E_RNA) where: Base-Base interactions energy: -1883.231 where: short stacking energy: -772.227 Base-Backbone interact. energy: 0.276 local terms energy: -827.651204 where: bonds (distance) C4'-P energy: -140.539 bonds (distance) P-C4' energy: -170.818 flat angles C4'-P-C4' energy: -172.558 flat angles P-C4'-P energy: -123.899 tors. eta vs tors. theta energy: -219.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2491.162983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.162983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.162983 (E_RNA) where: Base-Base interactions energy: -1711.194 where: short stacking energy: -755.378 Base-Backbone interact. energy: -3.612 local terms energy: -776.356887 where: bonds (distance) C4'-P energy: -140.953 bonds (distance) P-C4' energy: -147.085 flat angles C4'-P-C4' energy: -167.431 flat angles P-C4'-P energy: -108.456 tors. eta vs tors. theta energy: -212.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2432.032930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.032930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.032930 (E_RNA) where: Base-Base interactions energy: -1695.162 where: short stacking energy: -682.982 Base-Backbone interact. energy: 0.617 local terms energy: -737.487193 where: bonds (distance) C4'-P energy: -145.096 bonds (distance) P-C4' energy: -128.995 flat angles C4'-P-C4' energy: -151.726 flat angles P-C4'-P energy: -111.025 tors. eta vs tors. theta energy: -200.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2315.965401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.965401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.965401 (E_RNA) where: Base-Base interactions energy: -1566.246 where: short stacking energy: -670.348 Base-Backbone interact. energy: -0.915 local terms energy: -749.044952 where: bonds (distance) C4'-P energy: -151.516 bonds (distance) P-C4' energy: -125.307 flat angles C4'-P-C4' energy: -155.317 flat angles P-C4'-P energy: -112.462 tors. eta vs tors. theta energy: -204.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.241 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2153.461339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.461339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.461339 (E_RNA) where: Base-Base interactions energy: -1487.597 where: short stacking energy: -644.090 Base-Backbone interact. energy: -3.383 local terms energy: -662.480908 where: bonds (distance) C4'-P energy: -118.217 bonds (distance) P-C4' energy: -142.452 flat angles C4'-P-C4' energy: -132.279 flat angles P-C4'-P energy: -88.940 tors. eta vs tors. theta energy: -180.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1966.178601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.178601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.178601 (E_RNA) where: Base-Base interactions energy: -1312.864 where: short stacking energy: -587.333 Base-Backbone interact. energy: 1.773 local terms energy: -655.087582 where: bonds (distance) C4'-P energy: -109.244 bonds (distance) P-C4' energy: -149.366 flat angles C4'-P-C4' energy: -133.329 flat angles P-C4'-P energy: -106.275 tors. eta vs tors. theta energy: -156.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1577.096971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.096971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.096971 (E_RNA) where: Base-Base interactions energy: -1030.950 where: short stacking energy: -451.381 Base-Backbone interact. energy: 3.169 local terms energy: -549.316437 where: bonds (distance) C4'-P energy: -113.089 bonds (distance) P-C4' energy: -134.857 flat angles C4'-P-C4' energy: -116.932 flat angles P-C4'-P energy: -82.924 tors. eta vs tors. theta energy: -101.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1327.229598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.229598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.229598 (E_RNA) where: Base-Base interactions energy: -803.143 where: short stacking energy: -361.409 Base-Backbone interact. energy: 4.461 local terms energy: -528.547160 where: bonds (distance) C4'-P energy: -142.690 bonds (distance) P-C4' energy: -142.523 flat angles C4'-P-C4' energy: -95.714 flat angles P-C4'-P energy: -82.577 tors. eta vs tors. theta energy: -65.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1119.906833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.906833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.906833 (E_RNA) where: Base-Base interactions energy: -639.470 where: short stacking energy: -295.518 Base-Backbone interact. energy: -1.214 local terms energy: -479.222646 where: bonds (distance) C4'-P energy: -126.607 bonds (distance) P-C4' energy: -128.894 flat angles C4'-P-C4' energy: -131.464 flat angles P-C4'-P energy: -70.133 tors. eta vs tors. theta energy: -22.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -865.336010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.336010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.336010 (E_RNA) where: Base-Base interactions energy: -460.612 where: short stacking energy: -225.762 Base-Backbone interact. energy: 1.771 local terms energy: -406.494891 where: bonds (distance) C4'-P energy: -110.396 bonds (distance) P-C4' energy: -137.732 flat angles C4'-P-C4' energy: -112.792 flat angles P-C4'-P energy: -57.913 tors. eta vs tors. theta energy: 12.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2695.085753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.085753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.085753 (E_RNA) where: Base-Base interactions energy: -1881.331 where: short stacking energy: -769.654 Base-Backbone interact. energy: -5.056 local terms energy: -808.699134 where: bonds (distance) C4'-P energy: -154.690 bonds (distance) P-C4' energy: -141.901 flat angles C4'-P-C4' energy: -175.570 flat angles P-C4'-P energy: -104.502 tors. eta vs tors. theta energy: -232.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2501.786655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.786655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.786655 (E_RNA) where: Base-Base interactions energy: -1724.210 where: short stacking energy: -687.748 Base-Backbone interact. energy: -1.580 local terms energy: -775.996906 where: bonds (distance) C4'-P energy: -146.639 bonds (distance) P-C4' energy: -161.636 flat angles C4'-P-C4' energy: -167.421 flat angles P-C4'-P energy: -108.952 tors. eta vs tors. theta energy: -191.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2429.192751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.192751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.192751 (E_RNA) where: Base-Base interactions energy: -1688.193 where: short stacking energy: -733.529 Base-Backbone interact. energy: -2.782 local terms energy: -738.217133 where: bonds (distance) C4'-P energy: -124.999 bonds (distance) P-C4' energy: -144.805 flat angles C4'-P-C4' energy: -159.428 flat angles P-C4'-P energy: -97.668 tors. eta vs tors. theta energy: -211.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2310.678228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.678228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.678228 (E_RNA) where: Base-Base interactions energy: -1600.702 where: short stacking energy: -675.519 Base-Backbone interact. energy: -3.744 local terms energy: -706.232407 where: bonds (distance) C4'-P energy: -116.042 bonds (distance) P-C4' energy: -132.575 flat angles C4'-P-C4' energy: -154.990 flat angles P-C4'-P energy: -103.939 tors. eta vs tors. theta energy: -198.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2119.528343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.528343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.528343 (E_RNA) where: Base-Base interactions energy: -1450.015 where: short stacking energy: -605.215 Base-Backbone interact. energy: -2.716 local terms energy: -666.797013 where: bonds (distance) C4'-P energy: -137.725 bonds (distance) P-C4' energy: -129.539 flat angles C4'-P-C4' energy: -148.151 flat angles P-C4'-P energy: -93.635 tors. eta vs tors. theta energy: -157.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1987.620062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.620062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.620062 (E_RNA) where: Base-Base interactions energy: -1311.302 where: short stacking energy: -575.049 Base-Backbone interact. energy: -5.074 local terms energy: -671.243995 where: bonds (distance) C4'-P energy: -137.102 bonds (distance) P-C4' energy: -140.606 flat angles C4'-P-C4' energy: -144.451 flat angles P-C4'-P energy: -83.388 tors. eta vs tors. theta energy: -165.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1550.549754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.549754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.549754 (E_RNA) where: Base-Base interactions energy: -1011.404 where: short stacking energy: -440.409 Base-Backbone interact. energy: 3.527 local terms energy: -542.673313 where: bonds (distance) C4'-P energy: -104.751 bonds (distance) P-C4' energy: -117.798 flat angles C4'-P-C4' energy: -136.636 flat angles P-C4'-P energy: -90.563 tors. eta vs tors. theta energy: -92.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1348.485230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.485230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.485230 (E_RNA) where: Base-Base interactions energy: -843.234 where: short stacking energy: -413.011 Base-Backbone interact. energy: -3.416 local terms energy: -501.835089 where: bonds (distance) C4'-P energy: -106.158 bonds (distance) P-C4' energy: -132.493 flat angles C4'-P-C4' energy: -115.388 flat angles P-C4'-P energy: -64.889 tors. eta vs tors. theta energy: -82.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1106.190391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.190391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.190391 (E_RNA) where: Base-Base interactions energy: -641.309 where: short stacking energy: -321.699 Base-Backbone interact. energy: 6.377 local terms energy: -471.258507 where: bonds (distance) C4'-P energy: -127.253 bonds (distance) P-C4' energy: -122.582 flat angles C4'-P-C4' energy: -116.696 flat angles P-C4'-P energy: -69.138 tors. eta vs tors. theta energy: -35.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -848.828118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.828118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.828118 (E_RNA) where: Base-Base interactions energy: -456.521 where: short stacking energy: -233.902 Base-Backbone interact. energy: -2.897 local terms energy: -389.410101 where: bonds (distance) C4'-P energy: -104.239 bonds (distance) P-C4' energy: -138.898 flat angles C4'-P-C4' energy: -88.208 flat angles P-C4'-P energy: -61.336 tors. eta vs tors. theta energy: 3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2668.866762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.866762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.866762 (E_RNA) where: Base-Base interactions energy: -1862.507 where: short stacking energy: -740.198 Base-Backbone interact. energy: -1.532 local terms energy: -804.827796 where: bonds (distance) C4'-P energy: -146.891 bonds (distance) P-C4' energy: -154.816 flat angles C4'-P-C4' energy: -170.787 flat angles P-C4'-P energy: -112.303 tors. eta vs tors. theta energy: -220.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2522.159130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.159130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.159130 (E_RNA) where: Base-Base interactions energy: -1754.390 where: short stacking energy: -706.961 Base-Backbone interact. energy: -1.571 local terms energy: -766.199052 where: bonds (distance) C4'-P energy: -133.679 bonds (distance) P-C4' energy: -126.782 flat angles C4'-P-C4' energy: -182.956 flat angles P-C4'-P energy: -112.500 tors. eta vs tors. theta energy: -210.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2466.937772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.937772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.937772 (E_RNA) where: Base-Base interactions energy: -1681.779 where: short stacking energy: -746.477 Base-Backbone interact. energy: -2.284 local terms energy: -782.874925 where: bonds (distance) C4'-P energy: -144.875 bonds (distance) P-C4' energy: -139.834 flat angles C4'-P-C4' energy: -172.274 flat angles P-C4'-P energy: -107.322 tors. eta vs tors. theta energy: -218.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2350.919659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.919659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.919659 (E_RNA) where: Base-Base interactions energy: -1618.233 where: short stacking energy: -713.903 Base-Backbone interact. energy: -4.129 local terms energy: -728.557064 where: bonds (distance) C4'-P energy: -126.512 bonds (distance) P-C4' energy: -126.451 flat angles C4'-P-C4' energy: -157.865 flat angles P-C4'-P energy: -100.775 tors. eta vs tors. theta energy: -216.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2178.328961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.328961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.328961 (E_RNA) where: Base-Base interactions energy: -1483.924 where: short stacking energy: -617.905 Base-Backbone interact. energy: -1.469 local terms energy: -692.935141 where: bonds (distance) C4'-P energy: -136.744 bonds (distance) P-C4' energy: -134.501 flat angles C4'-P-C4' energy: -156.384 flat angles P-C4'-P energy: -95.244 tors. eta vs tors. theta energy: -170.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2011.215278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.215278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.215278 (E_RNA) where: Base-Base interactions energy: -1353.734 where: short stacking energy: -608.294 Base-Backbone interact. energy: -3.043 local terms energy: -654.438069 where: bonds (distance) C4'-P energy: -138.141 bonds (distance) P-C4' energy: -113.446 flat angles C4'-P-C4' energy: -149.628 flat angles P-C4'-P energy: -85.729 tors. eta vs tors. theta energy: -167.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1482.695326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.695326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.695326 (E_RNA) where: Base-Base interactions energy: -940.296 where: short stacking energy: -455.410 Base-Backbone interact. energy: -2.899 local terms energy: -539.499541 where: bonds (distance) C4'-P energy: -120.678 bonds (distance) P-C4' energy: -113.274 flat angles C4'-P-C4' energy: -133.754 flat angles P-C4'-P energy: -77.494 tors. eta vs tors. theta energy: -94.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1401.282298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.282298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.282298 (E_RNA) where: Base-Base interactions energy: -870.479 where: short stacking energy: -393.806 Base-Backbone interact. energy: -0.959 local terms energy: -529.844358 where: bonds (distance) C4'-P energy: -122.071 bonds (distance) P-C4' energy: -122.631 flat angles C4'-P-C4' energy: -135.836 flat angles P-C4'-P energy: -71.181 tors. eta vs tors. theta energy: -78.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1116.239558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.239558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.239558 (E_RNA) where: Base-Base interactions energy: -640.725 where: short stacking energy: -307.935 Base-Backbone interact. energy: -2.791 local terms energy: -472.723302 where: bonds (distance) C4'-P energy: -132.137 bonds (distance) P-C4' energy: -126.108 flat angles C4'-P-C4' energy: -116.494 flat angles P-C4'-P energy: -62.786 tors. eta vs tors. theta energy: -35.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -809.467612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.467612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.467612 (E_RNA) where: Base-Base interactions energy: -392.751 where: short stacking energy: -219.334 Base-Backbone interact. energy: 1.482 local terms energy: -418.198552 where: bonds (distance) C4'-P energy: -117.940 bonds (distance) P-C4' energy: -131.387 flat angles C4'-P-C4' energy: -103.532 flat angles P-C4'-P energy: -60.113 tors. eta vs tors. theta energy: -5.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2683.409777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.409777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.409777 (E_RNA) where: Base-Base interactions energy: -1862.794 where: short stacking energy: -775.820 Base-Backbone interact. energy: -2.341 local terms energy: -818.274000 where: bonds (distance) C4'-P energy: -155.439 bonds (distance) P-C4' energy: -149.364 flat angles C4'-P-C4' energy: -176.019 flat angles P-C4'-P energy: -106.572 tors. eta vs tors. theta energy: -230.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2544.697706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.697706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.697706 (E_RNA) where: Base-Base interactions energy: -1772.951 where: short stacking energy: -751.047 Base-Backbone interact. energy: 3.067 local terms energy: -774.813307 where: bonds (distance) C4'-P energy: -130.035 bonds (distance) P-C4' energy: -143.218 flat angles C4'-P-C4' energy: -174.500 flat angles P-C4'-P energy: -112.830 tors. eta vs tors. theta energy: -214.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2490.635349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.635349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.635349 (E_RNA) where: Base-Base interactions energy: -1712.570 where: short stacking energy: -763.278 Base-Backbone interact. energy: -2.408 local terms energy: -775.657041 where: bonds (distance) C4'-P energy: -139.095 bonds (distance) P-C4' energy: -151.271 flat angles C4'-P-C4' energy: -154.157 flat angles P-C4'-P energy: -108.979 tors. eta vs tors. theta energy: -222.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2333.012649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.012649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.012649 (E_RNA) where: Base-Base interactions energy: -1580.766 where: short stacking energy: -697.482 Base-Backbone interact. energy: -3.030 local terms energy: -749.216475 where: bonds (distance) C4'-P energy: -136.950 bonds (distance) P-C4' energy: -143.070 flat angles C4'-P-C4' energy: -162.487 flat angles P-C4'-P energy: -104.005 tors. eta vs tors. theta energy: -202.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2156.832412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.832412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.832412 (E_RNA) where: Base-Base interactions energy: -1486.557 where: short stacking energy: -622.921 Base-Backbone interact. energy: -0.700 local terms energy: -669.575310 where: bonds (distance) C4'-P energy: -127.245 bonds (distance) P-C4' energy: -110.877 flat angles C4'-P-C4' energy: -153.460 flat angles P-C4'-P energy: -101.251 tors. eta vs tors. theta energy: -176.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2013.301016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.301016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.301016 (E_RNA) where: Base-Base interactions energy: -1341.509 where: short stacking energy: -557.409 Base-Backbone interact. energy: -3.844 local terms energy: -667.948794 where: bonds (distance) C4'-P energy: -133.370 bonds (distance) P-C4' energy: -148.718 flat angles C4'-P-C4' energy: -138.921 flat angles P-C4'-P energy: -91.067 tors. eta vs tors. theta energy: -155.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1431.423083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.423083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.423083 (E_RNA) where: Base-Base interactions energy: -871.460 where: short stacking energy: -399.548 Base-Backbone interact. energy: -2.029 local terms energy: -557.934110 where: bonds (distance) C4'-P energy: -145.223 bonds (distance) P-C4' energy: -137.620 flat angles C4'-P-C4' energy: -115.257 flat angles P-C4'-P energy: -75.705 tors. eta vs tors. theta energy: -84.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1450.020731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.020731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.020731 (E_RNA) where: Base-Base interactions energy: -935.782 where: short stacking energy: -431.735 Base-Backbone interact. energy: 3.580 local terms energy: -517.819249 where: bonds (distance) C4'-P energy: -110.714 bonds (distance) P-C4' energy: -120.867 flat angles C4'-P-C4' energy: -125.065 flat angles P-C4'-P energy: -72.635 tors. eta vs tors. theta energy: -88.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1112.814858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.814858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.814858 (E_RNA) where: Base-Base interactions energy: -645.567 where: short stacking energy: -329.619 Base-Backbone interact. energy: 0.302 local terms energy: -467.549811 where: bonds (distance) C4'-P energy: -110.286 bonds (distance) P-C4' energy: -133.559 flat angles C4'-P-C4' energy: -123.365 flat angles P-C4'-P energy: -68.903 tors. eta vs tors. theta energy: -31.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -769.512450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.512450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.512450 (E_RNA) where: Base-Base interactions energy: -340.747 where: short stacking energy: -221.185 Base-Backbone interact. energy: 0.026 local terms energy: -428.791376 where: bonds (distance) C4'-P energy: -115.335 bonds (distance) P-C4' energy: -119.746 flat angles C4'-P-C4' energy: -107.624 flat angles P-C4'-P energy: -83.139 tors. eta vs tors. theta energy: -2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2685.996368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.996368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.996368 (E_RNA) where: Base-Base interactions energy: -1835.064 where: short stacking energy: -756.075 Base-Backbone interact. energy: 1.473 local terms energy: -852.405782 where: bonds (distance) C4'-P energy: -158.721 bonds (distance) P-C4' energy: -161.038 flat angles C4'-P-C4' energy: -170.220 flat angles P-C4'-P energy: -126.191 tors. eta vs tors. theta energy: -236.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2585.064858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.064858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.064858 (E_RNA) where: Base-Base interactions energy: -1785.691 where: short stacking energy: -754.713 Base-Backbone interact. energy: -3.556 local terms energy: -795.818279 where: bonds (distance) C4'-P energy: -143.731 bonds (distance) P-C4' energy: -151.666 flat angles C4'-P-C4' energy: -163.623 flat angles P-C4'-P energy: -120.369 tors. eta vs tors. theta energy: -216.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2465.175382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.175382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.175382 (E_RNA) where: Base-Base interactions energy: -1693.606 where: short stacking energy: -732.765 Base-Backbone interact. energy: 0.355 local terms energy: -771.924186 where: bonds (distance) C4'-P energy: -133.887 bonds (distance) P-C4' energy: -129.264 flat angles C4'-P-C4' energy: -173.389 flat angles P-C4'-P energy: -111.077 tors. eta vs tors. theta energy: -224.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2350.819465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.819465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.819465 (E_RNA) where: Base-Base interactions energy: -1606.481 where: short stacking energy: -693.944 Base-Backbone interact. energy: 0.718 local terms energy: -745.057107 where: bonds (distance) C4'-P energy: -133.640 bonds (distance) P-C4' energy: -156.443 flat angles C4'-P-C4' energy: -149.826 flat angles P-C4'-P energy: -100.158 tors. eta vs tors. theta energy: -204.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2197.985409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.985409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.985409 (E_RNA) where: Base-Base interactions energy: -1488.481 where: short stacking energy: -647.086 Base-Backbone interact. energy: 0.926 local terms energy: -710.429991 where: bonds (distance) C4'-P energy: -123.708 bonds (distance) P-C4' energy: -133.296 flat angles C4'-P-C4' energy: -153.823 flat angles P-C4'-P energy: -111.257 tors. eta vs tors. theta energy: -188.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1958.196284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.196284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.196284 (E_RNA) where: Base-Base interactions energy: -1295.446 where: short stacking energy: -568.929 Base-Backbone interact. energy: -1.599 local terms energy: -661.151878 where: bonds (distance) C4'-P energy: -133.191 bonds (distance) P-C4' energy: -141.645 flat angles C4'-P-C4' energy: -138.044 flat angles P-C4'-P energy: -100.590 tors. eta vs tors. theta energy: -147.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1491.422471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.422471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.422471 (E_RNA) where: Base-Base interactions energy: -932.452 where: short stacking energy: -430.110 Base-Backbone interact. energy: 2.931 local terms energy: -561.901932 where: bonds (distance) C4'-P energy: -126.377 bonds (distance) P-C4' energy: -126.839 flat angles C4'-P-C4' energy: -141.909 flat angles P-C4'-P energy: -85.783 tors. eta vs tors. theta energy: -80.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1468.295319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.295319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.295319 (E_RNA) where: Base-Base interactions energy: -961.393 where: short stacking energy: -439.310 Base-Backbone interact. energy: -2.940 local terms energy: -503.962445 where: bonds (distance) C4'-P energy: -122.279 bonds (distance) P-C4' energy: -111.390 flat angles C4'-P-C4' energy: -128.435 flat angles P-C4'-P energy: -61.450 tors. eta vs tors. theta energy: -80.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1114.956542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.956542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.956542 (E_RNA) where: Base-Base interactions energy: -660.871 where: short stacking energy: -326.015 Base-Backbone interact. energy: -1.461 local terms energy: -452.624331 where: bonds (distance) C4'-P energy: -100.723 bonds (distance) P-C4' energy: -114.687 flat angles C4'-P-C4' energy: -135.323 flat angles P-C4'-P energy: -59.261 tors. eta vs tors. theta energy: -42.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -751.457476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.457476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.457476 (E_RNA) where: Base-Base interactions energy: -371.211 where: short stacking energy: -216.190 Base-Backbone interact. energy: -1.112 local terms energy: -379.134032 where: bonds (distance) C4'-P energy: -127.162 bonds (distance) P-C4' energy: -90.670 flat angles C4'-P-C4' energy: -93.703 flat angles P-C4'-P energy: -67.206 tors. eta vs tors. theta energy: -0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2693.044447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.044447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.044447 (E_RNA) where: Base-Base interactions energy: -1902.311 where: short stacking energy: -765.026 Base-Backbone interact. energy: -1.755 local terms energy: -788.978620 where: bonds (distance) C4'-P energy: -139.567 bonds (distance) P-C4' energy: -144.810 flat angles C4'-P-C4' energy: -160.671 flat angles P-C4'-P energy: -118.918 tors. eta vs tors. theta energy: -225.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2539.481711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.481711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.481711 (E_RNA) where: Base-Base interactions energy: -1741.252 where: short stacking energy: -739.496 Base-Backbone interact. energy: -3.085 local terms energy: -795.144461 where: bonds (distance) C4'-P energy: -138.892 bonds (distance) P-C4' energy: -148.404 flat angles C4'-P-C4' energy: -170.006 flat angles P-C4'-P energy: -122.821 tors. eta vs tors. theta energy: -215.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2441.202438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.202438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.202438 (E_RNA) where: Base-Base interactions energy: -1662.700 where: short stacking energy: -730.215 Base-Backbone interact. energy: -3.134 local terms energy: -775.368811 where: bonds (distance) C4'-P energy: -136.869 bonds (distance) P-C4' energy: -144.175 flat angles C4'-P-C4' energy: -167.690 flat angles P-C4'-P energy: -102.161 tors. eta vs tors. theta energy: -224.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2233.090569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.090569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.090569 (E_RNA) where: Base-Base interactions energy: -1522.345 where: short stacking energy: -657.519 Base-Backbone interact. energy: 1.094 local terms energy: -711.839014 where: bonds (distance) C4'-P energy: -123.698 bonds (distance) P-C4' energy: -123.290 flat angles C4'-P-C4' energy: -157.869 flat angles P-C4'-P energy: -114.816 tors. eta vs tors. theta energy: -192.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2328.367710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.367710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.367710 (E_RNA) where: Base-Base interactions energy: -1557.969 where: short stacking energy: -733.925 Base-Backbone interact. energy: -2.000 local terms energy: -768.398795 where: bonds (distance) C4'-P energy: -147.700 bonds (distance) P-C4' energy: -142.471 flat angles C4'-P-C4' energy: -161.846 flat angles P-C4'-P energy: -97.177 tors. eta vs tors. theta energy: -219.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1939.736592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.736592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.736592 (E_RNA) where: Base-Base interactions energy: -1312.947 where: short stacking energy: -576.320 Base-Backbone interact. energy: -0.812 local terms energy: -625.976876 where: bonds (distance) C4'-P energy: -144.563 bonds (distance) P-C4' energy: -117.570 flat angles C4'-P-C4' energy: -136.545 flat angles P-C4'-P energy: -84.145 tors. eta vs tors. theta energy: -143.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1534.008143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.008143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.008143 (E_RNA) where: Base-Base interactions energy: -959.423 where: short stacking energy: -455.005 Base-Backbone interact. energy: -3.043 local terms energy: -571.541919 where: bonds (distance) C4'-P energy: -119.519 bonds (distance) P-C4' energy: -130.807 flat angles C4'-P-C4' energy: -126.813 flat angles P-C4'-P energy: -82.843 tors. eta vs tors. theta energy: -111.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1499.405728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.405728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.405728 (E_RNA) where: Base-Base interactions energy: -948.777 where: short stacking energy: -432.998 Base-Backbone interact. energy: 1.082 local terms energy: -551.710794 where: bonds (distance) C4'-P energy: -111.488 bonds (distance) P-C4' energy: -113.463 flat angles C4'-P-C4' energy: -130.734 flat angles P-C4'-P energy: -103.398 tors. eta vs tors. theta energy: -92.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1124.034451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.034451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.034451 (E_RNA) where: Base-Base interactions energy: -643.073 where: short stacking energy: -304.725 Base-Backbone interact. energy: -1.669 local terms energy: -479.292336 where: bonds (distance) C4'-P energy: -103.812 bonds (distance) P-C4' energy: -136.880 flat angles C4'-P-C4' energy: -123.412 flat angles P-C4'-P energy: -71.863 tors. eta vs tors. theta energy: -43.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -795.882986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.882986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.882986 (E_RNA) where: Base-Base interactions energy: -380.933 where: short stacking energy: -201.544 Base-Backbone interact. energy: -1.381 local terms energy: -413.568300 where: bonds (distance) C4'-P energy: -124.831 bonds (distance) P-C4' energy: -125.940 flat angles C4'-P-C4' energy: -95.700 flat angles P-C4'-P energy: -71.833 tors. eta vs tors. theta energy: 4.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2712.180141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.180141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.180141 (E_RNA) where: Base-Base interactions energy: -1896.325 where: short stacking energy: -778.447 Base-Backbone interact. energy: 1.250 local terms energy: -817.105100 where: bonds (distance) C4'-P energy: -144.995 bonds (distance) P-C4' energy: -164.414 flat angles C4'-P-C4' energy: -170.358 flat angles P-C4'-P energy: -101.269 tors. eta vs tors. theta energy: -236.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2535.040969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.040969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.040969 (E_RNA) where: Base-Base interactions energy: -1753.193 where: short stacking energy: -744.747 Base-Backbone interact. energy: -3.352 local terms energy: -778.495669 where: bonds (distance) C4'-P energy: -144.103 bonds (distance) P-C4' energy: -134.527 flat angles C4'-P-C4' energy: -164.883 flat angles P-C4'-P energy: -130.176 tors. eta vs tors. theta energy: -204.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2464.248793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.248793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.248793 (E_RNA) where: Base-Base interactions energy: -1676.755 where: short stacking energy: -727.540 Base-Backbone interact. energy: -2.176 local terms energy: -785.317328 where: bonds (distance) C4'-P energy: -141.647 bonds (distance) P-C4' energy: -148.160 flat angles C4'-P-C4' energy: -172.081 flat angles P-C4'-P energy: -107.969 tors. eta vs tors. theta energy: -215.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2313.509032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.509032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.509032 (E_RNA) where: Base-Base interactions energy: -1577.906 where: short stacking energy: -691.721 Base-Backbone interact. energy: 2.240 local terms energy: -737.843837 where: bonds (distance) C4'-P energy: -135.834 bonds (distance) P-C4' energy: -125.409 flat angles C4'-P-C4' energy: -172.103 flat angles P-C4'-P energy: -104.316 tors. eta vs tors. theta energy: -200.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2325.316012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.316012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.316012 (E_RNA) where: Base-Base interactions energy: -1580.994 where: short stacking energy: -716.186 Base-Backbone interact. energy: -1.209 local terms energy: -743.113099 where: bonds (distance) C4'-P energy: -127.057 bonds (distance) P-C4' energy: -139.512 flat angles C4'-P-C4' energy: -167.555 flat angles P-C4'-P energy: -92.265 tors. eta vs tors. theta energy: -216.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1931.598094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.598094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.598094 (E_RNA) where: Base-Base interactions energy: -1298.687 where: short stacking energy: -536.598 Base-Backbone interact. energy: 1.668 local terms energy: -634.579213 where: bonds (distance) C4'-P energy: -133.723 bonds (distance) P-C4' energy: -139.328 flat angles C4'-P-C4' energy: -137.803 flat angles P-C4'-P energy: -86.454 tors. eta vs tors. theta energy: -137.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1490.875407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.875407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.875407 (E_RNA) where: Base-Base interactions energy: -946.059 where: short stacking energy: -420.742 Base-Backbone interact. energy: -2.486 local terms energy: -542.330849 where: bonds (distance) C4'-P energy: -118.077 bonds (distance) P-C4' energy: -132.444 flat angles C4'-P-C4' energy: -138.957 flat angles P-C4'-P energy: -78.177 tors. eta vs tors. theta energy: -74.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1405.231818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.231818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.231818 (E_RNA) where: Base-Base interactions energy: -887.696 where: short stacking energy: -403.648 Base-Backbone interact. energy: -2.630 local terms energy: -514.905327 where: bonds (distance) C4'-P energy: -117.231 bonds (distance) P-C4' energy: -127.682 flat angles C4'-P-C4' energy: -132.413 flat angles P-C4'-P energy: -78.000 tors. eta vs tors. theta energy: -59.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1112.378063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.378063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.378063 (E_RNA) where: Base-Base interactions energy: -641.254 where: short stacking energy: -314.369 Base-Backbone interact. energy: -2.911 local terms energy: -468.213400 where: bonds (distance) C4'-P energy: -126.834 bonds (distance) P-C4' energy: -124.241 flat angles C4'-P-C4' energy: -111.003 flat angles P-C4'-P energy: -56.946 tors. eta vs tors. theta energy: -49.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -740.158375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.158375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.158375 (E_RNA) where: Base-Base interactions energy: -367.211 where: short stacking energy: -196.949 Base-Backbone interact. energy: 1.424 local terms energy: -374.371413 where: bonds (distance) C4'-P energy: -113.660 bonds (distance) P-C4' energy: -119.689 flat angles C4'-P-C4' energy: -79.569 flat angles P-C4'-P energy: -66.755 tors. eta vs tors. theta energy: 5.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2679.882678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.882678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.882678 (E_RNA) where: Base-Base interactions energy: -1864.375 where: short stacking energy: -777.695 Base-Backbone interact. energy: -0.600 local terms energy: -814.907895 where: bonds (distance) C4'-P energy: -144.063 bonds (distance) P-C4' energy: -147.444 flat angles C4'-P-C4' energy: -170.993 flat angles P-C4'-P energy: -121.751 tors. eta vs tors. theta energy: -230.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2566.929520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.929520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.929520 (E_RNA) where: Base-Base interactions energy: -1792.866 where: short stacking energy: -765.038 Base-Backbone interact. energy: -2.048 local terms energy: -772.015067 where: bonds (distance) C4'-P energy: -136.352 bonds (distance) P-C4' energy: -139.779 flat angles C4'-P-C4' energy: -166.373 flat angles P-C4'-P energy: -109.379 tors. eta vs tors. theta energy: -220.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2454.964464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.964464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.964464 (E_RNA) where: Base-Base interactions energy: -1684.377 where: short stacking energy: -760.912 Base-Backbone interact. energy: 0.334 local terms energy: -770.921477 where: bonds (distance) C4'-P energy: -144.212 bonds (distance) P-C4' energy: -143.951 flat angles C4'-P-C4' energy: -148.995 flat angles P-C4'-P energy: -114.341 tors. eta vs tors. theta energy: -219.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2319.242162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.242162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.242162 (E_RNA) where: Base-Base interactions energy: -1585.344 where: short stacking energy: -683.785 Base-Backbone interact. energy: -0.434 local terms energy: -733.464264 where: bonds (distance) C4'-P energy: -134.770 bonds (distance) P-C4' energy: -139.114 flat angles C4'-P-C4' energy: -157.996 flat angles P-C4'-P energy: -97.159 tors. eta vs tors. theta energy: -204.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2216.197572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.197572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.197572 (E_RNA) where: Base-Base interactions energy: -1497.948 where: short stacking energy: -650.651 Base-Backbone interact. energy: -5.433 local terms energy: -712.816602 where: bonds (distance) C4'-P energy: -130.492 bonds (distance) P-C4' energy: -145.728 flat angles C4'-P-C4' energy: -151.207 flat angles P-C4'-P energy: -100.350 tors. eta vs tors. theta energy: -185.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1970.118616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.118616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.118616 (E_RNA) where: Base-Base interactions energy: -1332.295 where: short stacking energy: -589.823 Base-Backbone interact. energy: 2.478 local terms energy: -640.301891 where: bonds (distance) C4'-P energy: -114.866 bonds (distance) P-C4' energy: -136.774 flat angles C4'-P-C4' energy: -152.307 flat angles P-C4'-P energy: -80.362 tors. eta vs tors. theta energy: -155.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1452.449492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.449492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.449492 (E_RNA) where: Base-Base interactions energy: -877.930 where: short stacking energy: -398.321 Base-Backbone interact. energy: -0.672 local terms energy: -573.848087 where: bonds (distance) C4'-P energy: -127.949 bonds (distance) P-C4' energy: -118.222 flat angles C4'-P-C4' energy: -151.239 flat angles P-C4'-P energy: -89.118 tors. eta vs tors. theta energy: -87.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1412.277993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.277993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.277993 (E_RNA) where: Base-Base interactions energy: -872.802 where: short stacking energy: -426.362 Base-Backbone interact. energy: -1.638 local terms energy: -537.837281 where: bonds (distance) C4'-P energy: -110.289 bonds (distance) P-C4' energy: -133.588 flat angles C4'-P-C4' energy: -132.440 flat angles P-C4'-P energy: -80.803 tors. eta vs tors. theta energy: -80.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1069.445303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.445303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.445303 (E_RNA) where: Base-Base interactions energy: -595.497 where: short stacking energy: -283.760 Base-Backbone interact. energy: -0.009 local terms energy: -473.939578 where: bonds (distance) C4'-P energy: -118.132 bonds (distance) P-C4' energy: -131.947 flat angles C4'-P-C4' energy: -107.857 flat angles P-C4'-P energy: -86.565 tors. eta vs tors. theta energy: -29.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -776.244437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.244437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.244437 (E_RNA) where: Base-Base interactions energy: -359.305 where: short stacking energy: -184.668 Base-Backbone interact. energy: 0.123 local terms energy: -417.063229 where: bonds (distance) C4'-P energy: -128.869 bonds (distance) P-C4' energy: -123.829 flat angles C4'-P-C4' energy: -112.220 flat angles P-C4'-P energy: -57.635 tors. eta vs tors. theta energy: 5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2664.698449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.698449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.698449 (E_RNA) where: Base-Base interactions energy: -1864.294 where: short stacking energy: -763.350 Base-Backbone interact. energy: -4.459 local terms energy: -795.945161 where: bonds (distance) C4'-P energy: -134.509 bonds (distance) P-C4' energy: -141.223 flat angles C4'-P-C4' energy: -166.471 flat angles P-C4'-P energy: -120.137 tors. eta vs tors. theta energy: -233.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2543.084182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.084182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.084182 (E_RNA) where: Base-Base interactions energy: -1767.022 where: short stacking energy: -745.825 Base-Backbone interact. energy: -3.006 local terms energy: -773.055739 where: bonds (distance) C4'-P energy: -149.994 bonds (distance) P-C4' energy: -136.931 flat angles C4'-P-C4' energy: -165.235 flat angles P-C4'-P energy: -100.398 tors. eta vs tors. theta energy: -220.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2433.843216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.843216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.843216 (E_RNA) where: Base-Base interactions energy: -1668.117 where: short stacking energy: -739.097 Base-Backbone interact. energy: -3.765 local terms energy: -761.961124 where: bonds (distance) C4'-P energy: -127.948 bonds (distance) P-C4' energy: -133.037 flat angles C4'-P-C4' energy: -169.588 flat angles P-C4'-P energy: -116.831 tors. eta vs tors. theta energy: -214.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2325.537561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.537561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.537561 (E_RNA) where: Base-Base interactions energy: -1599.957 where: short stacking energy: -691.204 Base-Backbone interact. energy: -2.844 local terms energy: -722.737445 where: bonds (distance) C4'-P energy: -132.833 bonds (distance) P-C4' energy: -136.839 flat angles C4'-P-C4' energy: -148.217 flat angles P-C4'-P energy: -102.176 tors. eta vs tors. theta energy: -202.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2241.652102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.652102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.652102 (E_RNA) where: Base-Base interactions energy: -1530.586 where: short stacking energy: -651.621 Base-Backbone interact. energy: -1.950 local terms energy: -709.116179 where: bonds (distance) C4'-P energy: -126.893 bonds (distance) P-C4' energy: -137.072 flat angles C4'-P-C4' energy: -155.988 flat angles P-C4'-P energy: -101.578 tors. eta vs tors. theta energy: -187.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1993.681319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.681319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.681319 (E_RNA) where: Base-Base interactions energy: -1320.742 where: short stacking energy: -570.010 Base-Backbone interact. energy: -1.688 local terms energy: -671.251605 where: bonds (distance) C4'-P energy: -127.474 bonds (distance) P-C4' energy: -135.540 flat angles C4'-P-C4' energy: -153.335 flat angles P-C4'-P energy: -93.024 tors. eta vs tors. theta energy: -161.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1477.529223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.529223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.529223 (E_RNA) where: Base-Base interactions energy: -909.601 where: short stacking energy: -427.116 Base-Backbone interact. energy: -2.285 local terms energy: -565.642492 where: bonds (distance) C4'-P energy: -125.817 bonds (distance) P-C4' energy: -141.082 flat angles C4'-P-C4' energy: -144.279 flat angles P-C4'-P energy: -75.564 tors. eta vs tors. theta energy: -78.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1355.908879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.908879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.908879 (E_RNA) where: Base-Base interactions energy: -821.152 where: short stacking energy: -403.656 Base-Backbone interact. energy: 1.639 local terms energy: -536.395957 where: bonds (distance) C4'-P energy: -135.501 bonds (distance) P-C4' energy: -123.688 flat angles C4'-P-C4' energy: -122.309 flat angles P-C4'-P energy: -81.500 tors. eta vs tors. theta energy: -73.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1024.213064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.213064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.213064 (E_RNA) where: Base-Base interactions energy: -553.585 where: short stacking energy: -270.618 Base-Backbone interact. energy: -3.791 local terms energy: -466.837041 where: bonds (distance) C4'-P energy: -114.230 bonds (distance) P-C4' energy: -120.947 flat angles C4'-P-C4' energy: -120.946 flat angles P-C4'-P energy: -78.274 tors. eta vs tors. theta energy: -32.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -764.215609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.215609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.215609 (E_RNA) where: Base-Base interactions energy: -396.719 where: short stacking energy: -218.046 Base-Backbone interact. energy: 1.966 local terms energy: -369.462118 where: bonds (distance) C4'-P energy: -110.502 bonds (distance) P-C4' energy: -100.919 flat angles C4'-P-C4' energy: -111.704 flat angles P-C4'-P energy: -57.786 tors. eta vs tors. theta energy: 11.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2687.968876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.968876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.968876 (E_RNA) where: Base-Base interactions energy: -1916.984 where: short stacking energy: -764.756 Base-Backbone interact. energy: -5.454 local terms energy: -765.531021 where: bonds (distance) C4'-P energy: -136.609 bonds (distance) P-C4' energy: -129.092 flat angles C4'-P-C4' energy: -170.236 flat angles P-C4'-P energy: -106.209 tors. eta vs tors. theta energy: -223.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2548.319054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.319054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.319054 (E_RNA) where: Base-Base interactions energy: -1780.414 where: short stacking energy: -742.151 Base-Backbone interact. energy: -2.028 local terms energy: -765.877072 where: bonds (distance) C4'-P energy: -140.666 bonds (distance) P-C4' energy: -146.792 flat angles C4'-P-C4' energy: -167.475 flat angles P-C4'-P energy: -103.330 tors. eta vs tors. theta energy: -207.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2409.316284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.316284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.316284 (E_RNA) where: Base-Base interactions energy: -1637.126 where: short stacking energy: -742.947 Base-Backbone interact. energy: -0.240 local terms energy: -771.949597 where: bonds (distance) C4'-P energy: -129.951 bonds (distance) P-C4' energy: -137.690 flat angles C4'-P-C4' energy: -167.290 flat angles P-C4'-P energy: -118.601 tors. eta vs tors. theta energy: -218.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2360.472546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.472546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.472546 (E_RNA) where: Base-Base interactions energy: -1586.747 where: short stacking energy: -702.420 Base-Backbone interact. energy: -1.722 local terms energy: -772.003174 where: bonds (distance) C4'-P energy: -148.699 bonds (distance) P-C4' energy: -146.168 flat angles C4'-P-C4' energy: -167.682 flat angles P-C4'-P energy: -103.756 tors. eta vs tors. theta energy: -205.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2231.960661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.960661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.960661 (E_RNA) where: Base-Base interactions energy: -1538.552 where: short stacking energy: -649.908 Base-Backbone interact. energy: -2.231 local terms energy: -691.177709 where: bonds (distance) C4'-P energy: -128.089 bonds (distance) P-C4' energy: -135.323 flat angles C4'-P-C4' energy: -152.039 flat angles P-C4'-P energy: -81.074 tors. eta vs tors. theta energy: -194.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1974.729990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.729990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.729990 (E_RNA) where: Base-Base interactions energy: -1315.736 where: short stacking energy: -578.602 Base-Backbone interact. energy: -0.120 local terms energy: -658.874212 where: bonds (distance) C4'-P energy: -117.302 bonds (distance) P-C4' energy: -137.387 flat angles C4'-P-C4' energy: -149.259 flat angles P-C4'-P energy: -91.612 tors. eta vs tors. theta energy: -163.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1454.672233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.672233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.672233 (E_RNA) where: Base-Base interactions energy: -928.571 where: short stacking energy: -438.072 Base-Backbone interact. energy: -0.386 local terms energy: -525.715466 where: bonds (distance) C4'-P energy: -107.414 bonds (distance) P-C4' energy: -134.396 flat angles C4'-P-C4' energy: -121.787 flat angles P-C4'-P energy: -75.708 tors. eta vs tors. theta energy: -86.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1477.727404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.727404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.727404 (E_RNA) where: Base-Base interactions energy: -948.369 where: short stacking energy: -438.225 Base-Backbone interact. energy: -0.908 local terms energy: -528.450740 where: bonds (distance) C4'-P energy: -116.261 bonds (distance) P-C4' energy: -110.411 flat angles C4'-P-C4' energy: -123.010 flat angles P-C4'-P energy: -83.434 tors. eta vs tors. theta energy: -95.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1059.746654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.746654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.746654 (E_RNA) where: Base-Base interactions energy: -629.995 where: short stacking energy: -318.008 Base-Backbone interact. energy: 1.077 local terms energy: -430.828501 where: bonds (distance) C4'-P energy: -98.171 bonds (distance) P-C4' energy: -124.754 flat angles C4'-P-C4' energy: -119.464 flat angles P-C4'-P energy: -61.051 tors. eta vs tors. theta energy: -27.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -753.115852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.115852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.115852 (E_RNA) where: Base-Base interactions energy: -375.823 where: short stacking energy: -208.550 Base-Backbone interact. energy: -1.046 local terms energy: -376.247063 where: bonds (distance) C4'-P energy: -106.253 bonds (distance) P-C4' energy: -127.609 flat angles C4'-P-C4' energy: -87.491 flat angles P-C4'-P energy: -77.405 tors. eta vs tors. theta energy: 22.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2686.122451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.122451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.122451 (E_RNA) where: Base-Base interactions energy: -1853.998 where: short stacking energy: -758.204 Base-Backbone interact. energy: -2.094 local terms energy: -830.029960 where: bonds (distance) C4'-P energy: -144.777 bonds (distance) P-C4' energy: -159.478 flat angles C4'-P-C4' energy: -181.879 flat angles P-C4'-P energy: -118.728 tors. eta vs tors. theta energy: -225.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2565.242601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.242601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.242601 (E_RNA) where: Base-Base interactions energy: -1762.240 where: short stacking energy: -735.560 Base-Backbone interact. energy: -2.907 local terms energy: -800.095483 where: bonds (distance) C4'-P energy: -153.189 bonds (distance) P-C4' energy: -154.990 flat angles C4'-P-C4' energy: -171.914 flat angles P-C4'-P energy: -99.658 tors. eta vs tors. theta energy: -220.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2428.878620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.878620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.878620 (E_RNA) where: Base-Base interactions energy: -1665.871 where: short stacking energy: -737.858 Base-Backbone interact. energy: -0.318 local terms energy: -762.688847 where: bonds (distance) C4'-P energy: -130.055 bonds (distance) P-C4' energy: -139.386 flat angles C4'-P-C4' energy: -163.873 flat angles P-C4'-P energy: -117.040 tors. eta vs tors. theta energy: -212.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2341.752153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.752153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.752153 (E_RNA) where: Base-Base interactions energy: -1624.018 where: short stacking energy: -723.638 Base-Backbone interact. energy: -3.191 local terms energy: -714.542850 where: bonds (distance) C4'-P energy: -116.794 bonds (distance) P-C4' energy: -133.772 flat angles C4'-P-C4' energy: -160.031 flat angles P-C4'-P energy: -98.450 tors. eta vs tors. theta energy: -205.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2241.265387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.265387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.265387 (E_RNA) where: Base-Base interactions energy: -1525.204 where: short stacking energy: -680.497 Base-Backbone interact. energy: -1.027 local terms energy: -715.034810 where: bonds (distance) C4'-P energy: -135.444 bonds (distance) P-C4' energy: -116.197 flat angles C4'-P-C4' energy: -166.323 flat angles P-C4'-P energy: -99.584 tors. eta vs tors. theta energy: -197.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1959.523047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.523047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.523047 (E_RNA) where: Base-Base interactions energy: -1287.233 where: short stacking energy: -602.001 Base-Backbone interact. energy: -0.969 local terms energy: -671.320513 where: bonds (distance) C4'-P energy: -128.684 bonds (distance) P-C4' energy: -125.647 flat angles C4'-P-C4' energy: -155.245 flat angles P-C4'-P energy: -100.143 tors. eta vs tors. theta energy: -161.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1513.613510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.613510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.613510 (E_RNA) where: Base-Base interactions energy: -959.652 where: short stacking energy: -441.110 Base-Backbone interact. energy: -1.694 local terms energy: -552.268300 where: bonds (distance) C4'-P energy: -128.096 bonds (distance) P-C4' energy: -139.270 flat angles C4'-P-C4' energy: -122.048 flat angles P-C4'-P energy: -73.162 tors. eta vs tors. theta energy: -89.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1416.054119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.054119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.054119 (E_RNA) where: Base-Base interactions energy: -900.365 where: short stacking energy: -418.837 Base-Backbone interact. energy: 4.078 local terms energy: -519.767164 where: bonds (distance) C4'-P energy: -130.867 bonds (distance) P-C4' energy: -122.959 flat angles C4'-P-C4' energy: -117.285 flat angles P-C4'-P energy: -78.142 tors. eta vs tors. theta energy: -70.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1055.269557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.269557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.269557 (E_RNA) where: Base-Base interactions energy: -625.578 where: short stacking energy: -316.123 Base-Backbone interact. energy: 7.976 local terms energy: -437.667430 where: bonds (distance) C4'-P energy: -120.013 bonds (distance) P-C4' energy: -108.614 flat angles C4'-P-C4' energy: -118.176 flat angles P-C4'-P energy: -71.523 tors. eta vs tors. theta energy: -19.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -730.528909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.528909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.528909 (E_RNA) where: Base-Base interactions energy: -390.146 where: short stacking energy: -220.611 Base-Backbone interact. energy: 1.361 local terms energy: -341.744061 where: bonds (distance) C4'-P energy: -113.354 bonds (distance) P-C4' energy: -119.102 flat angles C4'-P-C4' energy: -85.427 flat angles P-C4'-P energy: -38.843 tors. eta vs tors. theta energy: 14.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2686.830745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.830745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.830745 (E_RNA) where: Base-Base interactions energy: -1853.494 where: short stacking energy: -748.431 Base-Backbone interact. energy: -1.454 local terms energy: -831.882704 where: bonds (distance) C4'-P energy: -162.492 bonds (distance) P-C4' energy: -156.422 flat angles C4'-P-C4' energy: -169.369 flat angles P-C4'-P energy: -119.746 tors. eta vs tors. theta energy: -223.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2548.482482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.482482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.482482 (E_RNA) where: Base-Base interactions energy: -1756.724 where: short stacking energy: -715.942 Base-Backbone interact. energy: -2.219 local terms energy: -789.539522 where: bonds (distance) C4'-P energy: -155.193 bonds (distance) P-C4' energy: -147.669 flat angles C4'-P-C4' energy: -164.996 flat angles P-C4'-P energy: -109.337 tors. eta vs tors. theta energy: -212.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2434.852207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.852207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.852207 (E_RNA) where: Base-Base interactions energy: -1667.682 where: short stacking energy: -744.694 Base-Backbone interact. energy: -0.819 local terms energy: -766.351545 where: bonds (distance) C4'-P energy: -138.902 bonds (distance) P-C4' energy: -140.569 flat angles C4'-P-C4' energy: -145.617 flat angles P-C4'-P energy: -106.294 tors. eta vs tors. theta energy: -234.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2403.342120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.342120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.342120 (E_RNA) where: Base-Base interactions energy: -1639.434 where: short stacking energy: -710.752 Base-Backbone interact. energy: -1.723 local terms energy: -762.185063 where: bonds (distance) C4'-P energy: -155.974 bonds (distance) P-C4' energy: -131.900 flat angles C4'-P-C4' energy: -151.233 flat angles P-C4'-P energy: -109.601 tors. eta vs tors. theta energy: -213.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2186.908259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.908259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.908259 (E_RNA) where: Base-Base interactions energy: -1464.477 where: short stacking energy: -643.458 Base-Backbone interact. energy: -4.399 local terms energy: -718.031913 where: bonds (distance) C4'-P energy: -125.860 bonds (distance) P-C4' energy: -142.472 flat angles C4'-P-C4' energy: -148.734 flat angles P-C4'-P energy: -103.031 tors. eta vs tors. theta energy: -197.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2015.693647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.693647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.693647 (E_RNA) where: Base-Base interactions energy: -1328.463 where: short stacking energy: -595.739 Base-Backbone interact. energy: -3.328 local terms energy: -683.903169 where: bonds (distance) C4'-P energy: -140.251 bonds (distance) P-C4' energy: -134.430 flat angles C4'-P-C4' energy: -153.066 flat angles P-C4'-P energy: -102.109 tors. eta vs tors. theta energy: -154.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1493.586269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.586269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.586269 (E_RNA) where: Base-Base interactions energy: -910.258 where: short stacking energy: -426.058 Base-Backbone interact. energy: -3.590 local terms energy: -581.513463 where: bonds (distance) C4'-P energy: -123.025 bonds (distance) P-C4' energy: -137.101 flat angles C4'-P-C4' energy: -138.977 flat angles P-C4'-P energy: -85.786 tors. eta vs tors. theta energy: -96.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.775 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1428.565973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.565973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.565973 (E_RNA) where: Base-Base interactions energy: -887.163 where: short stacking energy: -418.126 Base-Backbone interact. energy: -3.074 local terms energy: -538.328547 where: bonds (distance) C4'-P energy: -115.321 bonds (distance) P-C4' energy: -138.785 flat angles C4'-P-C4' energy: -120.666 flat angles P-C4'-P energy: -80.631 tors. eta vs tors. theta energy: -82.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1139.395555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.395555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.395555 (E_RNA) where: Base-Base interactions energy: -682.317 where: short stacking energy: -320.820 Base-Backbone interact. energy: 0.583 local terms energy: -457.661202 where: bonds (distance) C4'-P energy: -101.551 bonds (distance) P-C4' energy: -128.436 flat angles C4'-P-C4' energy: -116.521 flat angles P-C4'-P energy: -54.971 tors. eta vs tors. theta energy: -56.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -734.620489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.620489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.620489 (E_RNA) where: Base-Base interactions energy: -353.085 where: short stacking energy: -195.938 Base-Backbone interact. energy: 6.160 local terms energy: -387.695390 where: bonds (distance) C4'-P energy: -121.842 bonds (distance) P-C4' energy: -127.023 flat angles C4'-P-C4' energy: -96.757 flat angles P-C4'-P energy: -59.482 tors. eta vs tors. theta energy: 17.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2663.367853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.367853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.367853 (E_RNA) where: Base-Base interactions energy: -1859.850 where: short stacking energy: -771.142 Base-Backbone interact. energy: -1.084 local terms energy: -802.434430 where: bonds (distance) C4'-P energy: -147.388 bonds (distance) P-C4' energy: -145.429 flat angles C4'-P-C4' energy: -171.467 flat angles P-C4'-P energy: -120.964 tors. eta vs tors. theta energy: -217.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2539.094249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.094249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.094249 (E_RNA) where: Base-Base interactions energy: -1745.852 where: short stacking energy: -723.433 Base-Backbone interact. energy: -2.225 local terms energy: -791.016964 where: bonds (distance) C4'-P energy: -140.144 bonds (distance) P-C4' energy: -146.042 flat angles C4'-P-C4' energy: -165.180 flat angles P-C4'-P energy: -115.903 tors. eta vs tors. theta energy: -223.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2447.437979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.437979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.437979 (E_RNA) where: Base-Base interactions energy: -1687.924 where: short stacking energy: -754.268 Base-Backbone interact. energy: -2.157 local terms energy: -757.356725 where: bonds (distance) C4'-P energy: -125.240 bonds (distance) P-C4' energy: -132.926 flat angles C4'-P-C4' energy: -168.395 flat angles P-C4'-P energy: -104.743 tors. eta vs tors. theta energy: -226.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2378.300952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.300952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.300952 (E_RNA) where: Base-Base interactions energy: -1647.074 where: short stacking energy: -716.151 Base-Backbone interact. energy: -0.868 local terms energy: -730.358550 where: bonds (distance) C4'-P energy: -123.589 bonds (distance) P-C4' energy: -150.971 flat angles C4'-P-C4' energy: -157.732 flat angles P-C4'-P energy: -98.668 tors. eta vs tors. theta energy: -199.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2140.908818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.908818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.908818 (E_RNA) where: Base-Base interactions energy: -1465.072 where: short stacking energy: -625.049 Base-Backbone interact. energy: -2.710 local terms energy: -673.126660 where: bonds (distance) C4'-P energy: -132.631 bonds (distance) P-C4' energy: -126.069 flat angles C4'-P-C4' energy: -149.016 flat angles P-C4'-P energy: -84.420 tors. eta vs tors. theta energy: -180.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1982.202676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.202676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.202676 (E_RNA) where: Base-Base interactions energy: -1323.786 where: short stacking energy: -561.782 Base-Backbone interact. energy: -0.633 local terms energy: -657.784256 where: bonds (distance) C4'-P energy: -132.429 bonds (distance) P-C4' energy: -126.376 flat angles C4'-P-C4' energy: -156.163 flat angles P-C4'-P energy: -91.451 tors. eta vs tors. theta energy: -151.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1484.000389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.000389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.000389 (E_RNA) where: Base-Base interactions energy: -935.267 where: short stacking energy: -436.833 Base-Backbone interact. energy: 5.396 local terms energy: -554.129691 where: bonds (distance) C4'-P energy: -132.323 bonds (distance) P-C4' energy: -133.211 flat angles C4'-P-C4' energy: -129.023 flat angles P-C4'-P energy: -72.404 tors. eta vs tors. theta energy: -87.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1373.692688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.692688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.692688 (E_RNA) where: Base-Base interactions energy: -839.009 where: short stacking energy: -391.562 Base-Backbone interact. energy: 1.389 local terms energy: -536.072801 where: bonds (distance) C4'-P energy: -124.824 bonds (distance) P-C4' energy: -109.807 flat angles C4'-P-C4' energy: -147.619 flat angles P-C4'-P energy: -88.976 tors. eta vs tors. theta energy: -64.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1111.255251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.255251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.255251 (E_RNA) where: Base-Base interactions energy: -641.260 where: short stacking energy: -310.165 Base-Backbone interact. energy: -0.383 local terms energy: -469.611455 where: bonds (distance) C4'-P energy: -127.397 bonds (distance) P-C4' energy: -129.448 flat angles C4'-P-C4' energy: -98.226 flat angles P-C4'-P energy: -67.882 tors. eta vs tors. theta energy: -46.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -715.086928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.086928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.086928 (E_RNA) where: Base-Base interactions energy: -354.032 where: short stacking energy: -218.473 Base-Backbone interact. energy: 4.032 local terms energy: -365.086067 where: bonds (distance) C4'-P energy: -112.112 bonds (distance) P-C4' energy: -119.786 flat angles C4'-P-C4' energy: -87.611 flat angles P-C4'-P energy: -56.038 tors. eta vs tors. theta energy: 10.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2708.274499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.274499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.274499 (E_RNA) where: Base-Base interactions energy: -1913.418 where: short stacking energy: -785.005 Base-Backbone interact. energy: -3.150 local terms energy: -791.706582 where: bonds (distance) C4'-P energy: -137.172 bonds (distance) P-C4' energy: -148.156 flat angles C4'-P-C4' energy: -168.374 flat angles P-C4'-P energy: -109.253 tors. eta vs tors. theta energy: -228.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2547.202172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.202172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.202172 (E_RNA) where: Base-Base interactions energy: -1781.626 where: short stacking energy: -756.787 Base-Backbone interact. energy: -2.400 local terms energy: -763.175572 where: bonds (distance) C4'-P energy: -137.206 bonds (distance) P-C4' energy: -142.579 flat angles C4'-P-C4' energy: -161.637 flat angles P-C4'-P energy: -111.899 tors. eta vs tors. theta energy: -209.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2428.628324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.628324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.628324 (E_RNA) where: Base-Base interactions energy: -1656.289 where: short stacking energy: -765.077 Base-Backbone interact. energy: -2.957 local terms energy: -769.382902 where: bonds (distance) C4'-P energy: -134.758 bonds (distance) P-C4' energy: -132.413 flat angles C4'-P-C4' energy: -152.281 flat angles P-C4'-P energy: -123.639 tors. eta vs tors. theta energy: -226.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2353.601541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.601541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.601541 (E_RNA) where: Base-Base interactions energy: -1624.520 where: short stacking energy: -700.457 Base-Backbone interact. energy: -2.938 local terms energy: -726.142974 where: bonds (distance) C4'-P energy: -127.778 bonds (distance) P-C4' energy: -146.337 flat angles C4'-P-C4' energy: -162.210 flat angles P-C4'-P energy: -90.555 tors. eta vs tors. theta energy: -199.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2117.437744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.437744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.437744 (E_RNA) where: Base-Base interactions energy: -1420.519 where: short stacking energy: -633.024 Base-Backbone interact. energy: 1.990 local terms energy: -698.909119 where: bonds (distance) C4'-P energy: -107.221 bonds (distance) P-C4' energy: -157.056 flat angles C4'-P-C4' energy: -150.684 flat angles P-C4'-P energy: -99.468 tors. eta vs tors. theta energy: -184.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1916.558148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.558148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.558148 (E_RNA) where: Base-Base interactions energy: -1275.055 where: short stacking energy: -552.669 Base-Backbone interact. energy: -2.696 local terms energy: -638.807314 where: bonds (distance) C4'-P energy: -128.006 bonds (distance) P-C4' energy: -138.468 flat angles C4'-P-C4' energy: -133.390 flat angles P-C4'-P energy: -103.134 tors. eta vs tors. theta energy: -135.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1521.193528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.193528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.193528 (E_RNA) where: Base-Base interactions energy: -971.987 where: short stacking energy: -456.524 Base-Backbone interact. energy: -0.412 local terms energy: -549.350922 where: bonds (distance) C4'-P energy: -118.049 bonds (distance) P-C4' energy: -127.379 flat angles C4'-P-C4' energy: -121.930 flat angles P-C4'-P energy: -71.782 tors. eta vs tors. theta energy: -110.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.555 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1290.645617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.645617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.645617 (E_RNA) where: Base-Base interactions energy: -794.595 where: short stacking energy: -402.160 Base-Backbone interact. energy: 0.752 local terms energy: -496.802456 where: bonds (distance) C4'-P energy: -126.496 bonds (distance) P-C4' energy: -111.328 flat angles C4'-P-C4' energy: -101.184 flat angles P-C4'-P energy: -77.577 tors. eta vs tors. theta energy: -80.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1085.009207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.009207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.009207 (E_RNA) where: Base-Base interactions energy: -597.656 where: short stacking energy: -312.118 Base-Backbone interact. energy: 8.446 local terms energy: -495.799745 where: bonds (distance) C4'-P energy: -117.548 bonds (distance) P-C4' energy: -109.826 flat angles C4'-P-C4' energy: -143.047 flat angles P-C4'-P energy: -83.486 tors. eta vs tors. theta energy: -41.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -701.002369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.002369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.002369 (E_RNA) where: Base-Base interactions energy: -315.852 where: short stacking energy: -207.037 Base-Backbone interact. energy: -2.098 local terms energy: -383.051800 where: bonds (distance) C4'-P energy: -106.329 bonds (distance) P-C4' energy: -122.977 flat angles C4'-P-C4' energy: -105.049 flat angles P-C4'-P energy: -61.622 tors. eta vs tors. theta energy: 12.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2696.052284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.052284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.052284 (E_RNA) where: Base-Base interactions energy: -1862.352 where: short stacking energy: -786.493 Base-Backbone interact. energy: -2.744 local terms energy: -830.956261 where: bonds (distance) C4'-P energy: -148.668 bonds (distance) P-C4' energy: -154.223 flat angles C4'-P-C4' energy: -177.244 flat angles P-C4'-P energy: -116.868 tors. eta vs tors. theta energy: -233.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2518.822532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.822532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.822532 (E_RNA) where: Base-Base interactions energy: -1729.265 where: short stacking energy: -711.435 Base-Backbone interact. energy: 5.814 local terms energy: -795.371010 where: bonds (distance) C4'-P energy: -147.404 bonds (distance) P-C4' energy: -154.670 flat angles C4'-P-C4' energy: -175.043 flat angles P-C4'-P energy: -117.225 tors. eta vs tors. theta energy: -201.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2425.550221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.550221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.550221 (E_RNA) where: Base-Base interactions energy: -1665.550 where: short stacking energy: -739.148 Base-Backbone interact. energy: -3.444 local terms energy: -756.556155 where: bonds (distance) C4'-P energy: -134.602 bonds (distance) P-C4' energy: -133.229 flat angles C4'-P-C4' energy: -164.041 flat angles P-C4'-P energy: -113.195 tors. eta vs tors. theta energy: -211.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2359.921772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.921772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.921772 (E_RNA) where: Base-Base interactions energy: -1626.129 where: short stacking energy: -688.818 Base-Backbone interact. energy: -3.988 local terms energy: -729.804883 where: bonds (distance) C4'-P energy: -126.042 bonds (distance) P-C4' energy: -131.506 flat angles C4'-P-C4' energy: -153.859 flat angles P-C4'-P energy: -114.330 tors. eta vs tors. theta energy: -204.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2087.052440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.052440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.052440 (E_RNA) where: Base-Base interactions energy: -1427.019 where: short stacking energy: -582.928 Base-Backbone interact. energy: 4.936 local terms energy: -664.969582 where: bonds (distance) C4'-P energy: -136.128 bonds (distance) P-C4' energy: -113.211 flat angles C4'-P-C4' energy: -157.638 flat angles P-C4'-P energy: -96.995 tors. eta vs tors. theta energy: -160.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1991.546974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.546974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.546974 (E_RNA) where: Base-Base interactions energy: -1350.972 where: short stacking energy: -554.251 Base-Backbone interact. energy: -0.797 local terms energy: -639.778041 where: bonds (distance) C4'-P energy: -123.786 bonds (distance) P-C4' energy: -118.636 flat angles C4'-P-C4' energy: -143.202 flat angles P-C4'-P energy: -90.209 tors. eta vs tors. theta energy: -163.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1556.875217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.875217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.875217 (E_RNA) where: Base-Base interactions energy: -978.739 where: short stacking energy: -459.189 Base-Backbone interact. energy: -0.532 local terms energy: -577.604160 where: bonds (distance) C4'-P energy: -138.450 bonds (distance) P-C4' energy: -123.436 flat angles C4'-P-C4' energy: -131.460 flat angles P-C4'-P energy: -87.034 tors. eta vs tors. theta energy: -97.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1307.051541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.051541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.051541 (E_RNA) where: Base-Base interactions energy: -820.392 where: short stacking energy: -398.155 Base-Backbone interact. energy: 8.584 local terms energy: -495.243960 where: bonds (distance) C4'-P energy: -128.061 bonds (distance) P-C4' energy: -118.983 flat angles C4'-P-C4' energy: -107.248 flat angles P-C4'-P energy: -63.204 tors. eta vs tors. theta energy: -77.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1082.677055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.677055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.677055 (E_RNA) where: Base-Base interactions energy: -602.210 where: short stacking energy: -280.324 Base-Backbone interact. energy: 10.494 local terms energy: -490.961288 where: bonds (distance) C4'-P energy: -118.915 bonds (distance) P-C4' energy: -132.549 flat angles C4'-P-C4' energy: -124.593 flat angles P-C4'-P energy: -82.856 tors. eta vs tors. theta energy: -32.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -664.375264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.375264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.375264 (E_RNA) where: Base-Base interactions energy: -298.687 where: short stacking energy: -216.603 Base-Backbone interact. energy: -0.033 local terms energy: -365.655028 where: bonds (distance) C4'-P energy: -120.294 bonds (distance) P-C4' energy: -98.195 flat angles C4'-P-C4' energy: -100.815 flat angles P-C4'-P energy: -53.447 tors. eta vs tors. theta energy: 7.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2691.470496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.470496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.470496 (E_RNA) where: Base-Base interactions energy: -1894.030 where: short stacking energy: -798.588 Base-Backbone interact. energy: -2.036 local terms energy: -795.404525 where: bonds (distance) C4'-P energy: -145.446 bonds (distance) P-C4' energy: -139.262 flat angles C4'-P-C4' energy: -167.667 flat angles P-C4'-P energy: -115.431 tors. eta vs tors. theta energy: -227.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2530.908879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.908879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.908879 (E_RNA) where: Base-Base interactions energy: -1729.074 where: short stacking energy: -737.266 Base-Backbone interact. energy: 1.768 local terms energy: -803.602563 where: bonds (distance) C4'-P energy: -146.529 bonds (distance) P-C4' energy: -137.985 flat angles C4'-P-C4' energy: -173.558 flat angles P-C4'-P energy: -120.779 tors. eta vs tors. theta energy: -224.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2455.601439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.601439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.601439 (E_RNA) where: Base-Base interactions energy: -1660.139 where: short stacking energy: -724.719 Base-Backbone interact. energy: 4.206 local terms energy: -799.668539 where: bonds (distance) C4'-P energy: -136.359 bonds (distance) P-C4' energy: -146.989 flat angles C4'-P-C4' energy: -177.398 flat angles P-C4'-P energy: -118.047 tors. eta vs tors. theta energy: -220.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2364.454937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.454937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.454937 (E_RNA) where: Base-Base interactions energy: -1612.354 where: short stacking energy: -712.846 Base-Backbone interact. energy: -2.963 local terms energy: -749.137883 where: bonds (distance) C4'-P energy: -131.072 bonds (distance) P-C4' energy: -143.273 flat angles C4'-P-C4' energy: -155.545 flat angles P-C4'-P energy: -108.077 tors. eta vs tors. theta energy: -211.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2087.446517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.446517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.446517 (E_RNA) where: Base-Base interactions energy: -1442.182 where: short stacking energy: -593.843 Base-Backbone interact. energy: 0.115 local terms energy: -646.280728 where: bonds (distance) C4'-P energy: -125.392 bonds (distance) P-C4' energy: -128.680 flat angles C4'-P-C4' energy: -134.606 flat angles P-C4'-P energy: -97.517 tors. eta vs tors. theta energy: -160.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.901 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1990.119764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.119764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.119764 (E_RNA) where: Base-Base interactions energy: -1350.105 where: short stacking energy: -600.002 Base-Backbone interact. energy: -0.858 local terms energy: -639.156809 where: bonds (distance) C4'-P energy: -129.531 bonds (distance) P-C4' energy: -117.435 flat angles C4'-P-C4' energy: -146.194 flat angles P-C4'-P energy: -85.902 tors. eta vs tors. theta energy: -160.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1556.520312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.520312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.520312 (E_RNA) where: Base-Base interactions energy: -988.657 where: short stacking energy: -445.004 Base-Backbone interact. energy: 5.597 local terms energy: -573.460354 where: bonds (distance) C4'-P energy: -116.743 bonds (distance) P-C4' energy: -133.356 flat angles C4'-P-C4' energy: -127.303 flat angles P-C4'-P energy: -84.412 tors. eta vs tors. theta energy: -111.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1264.882644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.882644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.882644 (E_RNA) where: Base-Base interactions energy: -776.825 where: short stacking energy: -367.324 Base-Backbone interact. energy: -3.736 local terms energy: -484.321708 where: bonds (distance) C4'-P energy: -114.754 bonds (distance) P-C4' energy: -109.436 flat angles C4'-P-C4' energy: -123.265 flat angles P-C4'-P energy: -76.407 tors. eta vs tors. theta energy: -60.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1115.608211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.608211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.608211 (E_RNA) where: Base-Base interactions energy: -616.818 where: short stacking energy: -322.864 Base-Backbone interact. energy: 4.889 local terms energy: -503.679209 where: bonds (distance) C4'-P energy: -130.924 bonds (distance) P-C4' energy: -122.145 flat angles C4'-P-C4' energy: -127.442 flat angles P-C4'-P energy: -58.567 tors. eta vs tors. theta energy: -64.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -738.909733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.909733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.909733 (E_RNA) where: Base-Base interactions energy: -359.810 where: short stacking energy: -211.646 Base-Backbone interact. energy: 3.207 local terms energy: -382.306239 where: bonds (distance) C4'-P energy: -95.183 bonds (distance) P-C4' energy: -132.663 flat angles C4'-P-C4' energy: -97.591 flat angles P-C4'-P energy: -59.740 tors. eta vs tors. theta energy: 2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2710.680976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.680976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.680976 (E_RNA) where: Base-Base interactions energy: -1872.305 where: short stacking energy: -779.388 Base-Backbone interact. energy: -2.913 local terms energy: -835.462836 where: bonds (distance) C4'-P energy: -149.356 bonds (distance) P-C4' energy: -162.475 flat angles C4'-P-C4' energy: -174.370 flat angles P-C4'-P energy: -123.447 tors. eta vs tors. theta energy: -225.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2536.987180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.987180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.987180 (E_RNA) where: Base-Base interactions energy: -1737.064 where: short stacking energy: -758.502 Base-Backbone interact. energy: -2.960 local terms energy: -796.963428 where: bonds (distance) C4'-P energy: -152.775 bonds (distance) P-C4' energy: -139.818 flat angles C4'-P-C4' energy: -171.652 flat angles P-C4'-P energy: -105.172 tors. eta vs tors. theta energy: -227.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2430.389452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.389452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.389452 (E_RNA) where: Base-Base interactions energy: -1678.266 where: short stacking energy: -734.661 Base-Backbone interact. energy: 1.027 local terms energy: -753.151284 where: bonds (distance) C4'-P energy: -144.000 bonds (distance) P-C4' energy: -125.337 flat angles C4'-P-C4' energy: -158.079 flat angles P-C4'-P energy: -96.927 tors. eta vs tors. theta energy: -228.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2374.165736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.165736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.165736 (E_RNA) where: Base-Base interactions energy: -1619.187 where: short stacking energy: -725.552 Base-Backbone interact. energy: -0.840 local terms energy: -754.138931 where: bonds (distance) C4'-P energy: -142.632 bonds (distance) P-C4' energy: -120.369 flat angles C4'-P-C4' energy: -162.041 flat angles P-C4'-P energy: -107.723 tors. eta vs tors. theta energy: -221.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2137.990184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.990184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.990184 (E_RNA) where: Base-Base interactions energy: -1448.697 where: short stacking energy: -646.886 Base-Backbone interact. energy: -5.958 local terms energy: -683.335076 where: bonds (distance) C4'-P energy: -129.946 bonds (distance) P-C4' energy: -130.361 flat angles C4'-P-C4' energy: -138.687 flat angles P-C4'-P energy: -104.082 tors. eta vs tors. theta energy: -180.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1997.976154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.976154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.976154 (E_RNA) where: Base-Base interactions energy: -1349.484 where: short stacking energy: -599.016 Base-Backbone interact. energy: -1.816 local terms energy: -646.675623 where: bonds (distance) C4'-P energy: -121.171 bonds (distance) P-C4' energy: -130.875 flat angles C4'-P-C4' energy: -140.253 flat angles P-C4'-P energy: -89.714 tors. eta vs tors. theta energy: -164.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1705.571575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.571575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.571575 (E_RNA) where: Base-Base interactions energy: -1075.420 where: short stacking energy: -476.351 Base-Backbone interact. energy: -3.072 local terms energy: -628.888780 where: bonds (distance) C4'-P energy: -116.431 bonds (distance) P-C4' energy: -143.849 flat angles C4'-P-C4' energy: -159.673 flat angles P-C4'-P energy: -80.080 tors. eta vs tors. theta energy: -128.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.809 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1206.510164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.510164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.510164 (E_RNA) where: Base-Base interactions energy: -753.668 where: short stacking energy: -364.119 Base-Backbone interact. energy: -0.586 local terms energy: -452.256450 where: bonds (distance) C4'-P energy: -103.382 bonds (distance) P-C4' energy: -127.776 flat angles C4'-P-C4' energy: -121.103 flat angles P-C4'-P energy: -58.609 tors. eta vs tors. theta energy: -41.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1106.552708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.552708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.552708 (E_RNA) where: Base-Base interactions energy: -640.907 where: short stacking energy: -318.018 Base-Backbone interact. energy: -0.117 local terms energy: -465.528274 where: bonds (distance) C4'-P energy: -133.197 bonds (distance) P-C4' energy: -121.747 flat angles C4'-P-C4' energy: -122.561 flat angles P-C4'-P energy: -65.317 tors. eta vs tors. theta energy: -22.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -697.089061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.089061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.089061 (E_RNA) where: Base-Base interactions energy: -301.349 where: short stacking energy: -187.373 Base-Backbone interact. energy: 9.445 local terms energy: -405.185376 where: bonds (distance) C4'-P energy: -135.151 bonds (distance) P-C4' energy: -118.421 flat angles C4'-P-C4' energy: -103.782 flat angles P-C4'-P energy: -54.319 tors. eta vs tors. theta energy: 6.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2684.076965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.076965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.076965 (E_RNA) where: Base-Base interactions energy: -1870.093 where: short stacking energy: -765.999 Base-Backbone interact. energy: -2.374 local terms energy: -811.609557 where: bonds (distance) C4'-P energy: -157.129 bonds (distance) P-C4' energy: -144.833 flat angles C4'-P-C4' energy: -170.789 flat angles P-C4'-P energy: -112.470 tors. eta vs tors. theta energy: -226.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2522.425699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.425699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.425699 (E_RNA) where: Base-Base interactions energy: -1726.964 where: short stacking energy: -748.576 Base-Backbone interact. energy: -2.725 local terms energy: -792.736873 where: bonds (distance) C4'-P energy: -138.037 bonds (distance) P-C4' energy: -159.503 flat angles C4'-P-C4' energy: -162.390 flat angles P-C4'-P energy: -114.603 tors. eta vs tors. theta energy: -218.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2454.439705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.439705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.439705 (E_RNA) where: Base-Base interactions energy: -1696.150 where: short stacking energy: -751.959 Base-Backbone interact. energy: -4.406 local terms energy: -753.884572 where: bonds (distance) C4'-P energy: -124.991 bonds (distance) P-C4' energy: -132.291 flat angles C4'-P-C4' energy: -154.610 flat angles P-C4'-P energy: -115.337 tors. eta vs tors. theta energy: -226.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2315.891912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.891912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.891912 (E_RNA) where: Base-Base interactions energy: -1589.654 where: short stacking energy: -685.172 Base-Backbone interact. energy: -0.037 local terms energy: -726.200632 where: bonds (distance) C4'-P energy: -133.110 bonds (distance) P-C4' energy: -140.892 flat angles C4'-P-C4' energy: -150.085 flat angles P-C4'-P energy: -94.796 tors. eta vs tors. theta energy: -207.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2111.506100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.506100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.506100 (E_RNA) where: Base-Base interactions energy: -1446.272 where: short stacking energy: -630.199 Base-Backbone interact. energy: -1.169 local terms energy: -664.065137 where: bonds (distance) C4'-P energy: -122.444 bonds (distance) P-C4' energy: -142.709 flat angles C4'-P-C4' energy: -147.949 flat angles P-C4'-P energy: -82.251 tors. eta vs tors. theta energy: -168.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2005.239896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.239896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.239896 (E_RNA) where: Base-Base interactions energy: -1335.835 where: short stacking energy: -568.475 Base-Backbone interact. energy: -4.913 local terms energy: -664.491934 where: bonds (distance) C4'-P energy: -146.182 bonds (distance) P-C4' energy: -143.717 flat angles C4'-P-C4' energy: -145.460 flat angles P-C4'-P energy: -80.154 tors. eta vs tors. theta energy: -148.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1678.749683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.749683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.749683 (E_RNA) where: Base-Base interactions energy: -1084.012 where: short stacking energy: -465.637 Base-Backbone interact. energy: -1.261 local terms energy: -593.690657 where: bonds (distance) C4'-P energy: -128.069 bonds (distance) P-C4' energy: -120.299 flat angles C4'-P-C4' energy: -137.851 flat angles P-C4'-P energy: -92.967 tors. eta vs tors. theta energy: -114.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.214 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1247.373917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.373917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.373917 (E_RNA) where: Base-Base interactions energy: -765.982 where: short stacking energy: -364.933 Base-Backbone interact. energy: -1.687 local terms energy: -479.704231 where: bonds (distance) C4'-P energy: -110.814 bonds (distance) P-C4' energy: -129.812 flat angles C4'-P-C4' energy: -115.332 flat angles P-C4'-P energy: -68.530 tors. eta vs tors. theta energy: -55.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1056.843186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.843186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.843186 (E_RNA) where: Base-Base interactions energy: -621.424 where: short stacking energy: -297.907 Base-Backbone interact. energy: -2.053 local terms energy: -433.366050 where: bonds (distance) C4'-P energy: -125.624 bonds (distance) P-C4' energy: -121.281 flat angles C4'-P-C4' energy: -105.255 flat angles P-C4'-P energy: -56.881 tors. eta vs tors. theta energy: -24.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -750.243608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.243608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.243608 (E_RNA) where: Base-Base interactions energy: -339.122 where: short stacking energy: -224.107 Base-Backbone interact. energy: 4.552 local terms energy: -415.673453 where: bonds (distance) C4'-P energy: -100.212 bonds (distance) P-C4' energy: -128.386 flat angles C4'-P-C4' energy: -123.123 flat angles P-C4'-P energy: -67.098 tors. eta vs tors. theta energy: 3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2661.506278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.506278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.506278 (E_RNA) where: Base-Base interactions energy: -1859.824 where: short stacking energy: -769.977 Base-Backbone interact. energy: 1.579 local terms energy: -803.260998 where: bonds (distance) C4'-P energy: -147.637 bonds (distance) P-C4' energy: -149.864 flat angles C4'-P-C4' energy: -168.672 flat angles P-C4'-P energy: -99.778 tors. eta vs tors. theta energy: -237.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2522.639446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.639446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.639446 (E_RNA) where: Base-Base interactions energy: -1743.056 where: short stacking energy: -739.011 Base-Backbone interact. energy: -5.290 local terms energy: -774.293509 where: bonds (distance) C4'-P energy: -139.881 bonds (distance) P-C4' energy: -150.521 flat angles C4'-P-C4' energy: -168.226 flat angles P-C4'-P energy: -95.901 tors. eta vs tors. theta energy: -219.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2445.558939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.558939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.558939 (E_RNA) where: Base-Base interactions energy: -1641.543 where: short stacking energy: -707.710 Base-Backbone interact. energy: -2.383 local terms energy: -801.633237 where: bonds (distance) C4'-P energy: -150.066 bonds (distance) P-C4' energy: -158.922 flat angles C4'-P-C4' energy: -170.276 flat angles P-C4'-P energy: -110.887 tors. eta vs tors. theta energy: -211.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2345.187080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.187080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.187080 (E_RNA) where: Base-Base interactions energy: -1594.581 where: short stacking energy: -678.011 Base-Backbone interact. energy: -1.529 local terms energy: -749.077058 where: bonds (distance) C4'-P energy: -135.382 bonds (distance) P-C4' energy: -142.662 flat angles C4'-P-C4' energy: -152.919 flat angles P-C4'-P energy: -104.507 tors. eta vs tors. theta energy: -213.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2107.530225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.530225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.530225 (E_RNA) where: Base-Base interactions energy: -1429.336 where: short stacking energy: -620.215 Base-Backbone interact. energy: 0.152 local terms energy: -678.346997 where: bonds (distance) C4'-P energy: -145.945 bonds (distance) P-C4' energy: -134.644 flat angles C4'-P-C4' energy: -145.206 flat angles P-C4'-P energy: -89.551 tors. eta vs tors. theta energy: -163.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1986.017778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.017778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.017778 (E_RNA) where: Base-Base interactions energy: -1359.235 where: short stacking energy: -565.247 Base-Backbone interact. energy: 3.425 local terms energy: -630.207471 where: bonds (distance) C4'-P energy: -125.067 bonds (distance) P-C4' energy: -131.613 flat angles C4'-P-C4' energy: -145.160 flat angles P-C4'-P energy: -68.951 tors. eta vs tors. theta energy: -159.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1696.393320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.393320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.393320 (E_RNA) where: Base-Base interactions energy: -1116.441 where: short stacking energy: -490.990 Base-Backbone interact. energy: -0.066 local terms energy: -579.885725 where: bonds (distance) C4'-P energy: -134.404 bonds (distance) P-C4' energy: -112.925 flat angles C4'-P-C4' energy: -133.583 flat angles P-C4'-P energy: -84.050 tors. eta vs tors. theta energy: -114.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1257.941063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.941063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.941063 (E_RNA) where: Base-Base interactions energy: -770.334 where: short stacking energy: -342.835 Base-Backbone interact. energy: -2.840 local terms energy: -484.766990 where: bonds (distance) C4'-P energy: -105.784 bonds (distance) P-C4' energy: -137.565 flat angles C4'-P-C4' energy: -114.308 flat angles P-C4'-P energy: -60.219 tors. eta vs tors. theta energy: -66.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -1145.960668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.960668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.960668 (E_RNA) where: Base-Base interactions energy: -670.242 where: short stacking energy: -326.308 Base-Backbone interact. energy: 4.789 local terms energy: -480.506752 where: bonds (distance) C4'-P energy: -123.547 bonds (distance) P-C4' energy: -134.633 flat angles C4'-P-C4' energy: -108.337 flat angles P-C4'-P energy: -70.938 tors. eta vs tors. theta energy: -43.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -721.320167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.320167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.320167 (E_RNA) where: Base-Base interactions energy: -312.741 where: short stacking energy: -191.008 Base-Backbone interact. energy: -2.526 local terms energy: -406.053592 where: bonds (distance) C4'-P energy: -116.219 bonds (distance) P-C4' energy: -129.156 flat angles C4'-P-C4' energy: -99.663 flat angles P-C4'-P energy: -63.548 tors. eta vs tors. theta energy: 2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2677.007478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.007478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.007478 (E_RNA) where: Base-Base interactions energy: -1863.785 where: short stacking energy: -777.913 Base-Backbone interact. energy: -1.422 local terms energy: -811.799776 where: bonds (distance) C4'-P energy: -145.703 bonds (distance) P-C4' energy: -142.446 flat angles C4'-P-C4' energy: -172.222 flat angles P-C4'-P energy: -113.136 tors. eta vs tors. theta energy: -238.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2564.897175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.897175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.897175 (E_RNA) where: Base-Base interactions energy: -1772.628 where: short stacking energy: -742.190 Base-Backbone interact. energy: -2.838 local terms energy: -789.431426 where: bonds (distance) C4'-P energy: -136.609 bonds (distance) P-C4' energy: -155.664 flat angles C4'-P-C4' energy: -168.647 flat angles P-C4'-P energy: -112.647 tors. eta vs tors. theta energy: -215.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2463.858650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.858650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.858650 (E_RNA) where: Base-Base interactions energy: -1673.039 where: short stacking energy: -735.740 Base-Backbone interact. energy: -3.129 local terms energy: -787.691615 where: bonds (distance) C4'-P energy: -139.029 bonds (distance) P-C4' energy: -159.081 flat angles C4'-P-C4' energy: -152.745 flat angles P-C4'-P energy: -110.111 tors. eta vs tors. theta energy: -226.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2261.712239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.712239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.712239 (E_RNA) where: Base-Base interactions energy: -1539.080 where: short stacking energy: -654.590 Base-Backbone interact. energy: -0.025 local terms energy: -722.607796 where: bonds (distance) C4'-P energy: -128.499 bonds (distance) P-C4' energy: -151.200 flat angles C4'-P-C4' energy: -165.872 flat angles P-C4'-P energy: -98.114 tors. eta vs tors. theta energy: -178.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2101.214566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.214566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.214566 (E_RNA) where: Base-Base interactions energy: -1428.381 where: short stacking energy: -622.583 Base-Backbone interact. energy: -2.833 local terms energy: -670.000470 where: bonds (distance) C4'-P energy: -131.013 bonds (distance) P-C4' energy: -130.756 flat angles C4'-P-C4' energy: -153.679 flat angles P-C4'-P energy: -85.137 tors. eta vs tors. theta energy: -169.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1952.452592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.452592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.452592 (E_RNA) where: Base-Base interactions energy: -1278.025 where: short stacking energy: -568.796 Base-Backbone interact. energy: -0.566 local terms energy: -673.860970 where: bonds (distance) C4'-P energy: -142.925 bonds (distance) P-C4' energy: -118.281 flat angles C4'-P-C4' energy: -154.411 flat angles P-C4'-P energy: -94.805 tors. eta vs tors. theta energy: -163.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1710.269678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.269678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.269678 (E_RNA) where: Base-Base interactions energy: -1108.099 where: short stacking energy: -508.054 Base-Backbone interact. energy: 0.966 local terms energy: -603.136241 where: bonds (distance) C4'-P energy: -127.493 bonds (distance) P-C4' energy: -151.993 flat angles C4'-P-C4' energy: -137.803 flat angles P-C4'-P energy: -62.921 tors. eta vs tors. theta energy: -122.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1306.688556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.688556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.688556 (E_RNA) where: Base-Base interactions energy: -814.435 where: short stacking energy: -376.334 Base-Backbone interact. energy: -2.748 local terms energy: -489.505011 where: bonds (distance) C4'-P energy: -118.693 bonds (distance) P-C4' energy: -117.233 flat angles C4'-P-C4' energy: -106.923 flat angles P-C4'-P energy: -89.746 tors. eta vs tors. theta energy: -56.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1172.159028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.159028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.159028 (E_RNA) where: Base-Base interactions energy: -740.631 where: short stacking energy: -351.999 Base-Backbone interact. energy: 6.162 local terms energy: -437.690274 where: bonds (distance) C4'-P energy: -97.861 bonds (distance) P-C4' energy: -129.734 flat angles C4'-P-C4' energy: -100.774 flat angles P-C4'-P energy: -56.769 tors. eta vs tors. theta energy: -52.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -708.520049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.520049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.520049 (E_RNA) where: Base-Base interactions energy: -322.623 where: short stacking energy: -199.887 Base-Backbone interact. energy: -3.061 local terms energy: -382.836239 where: bonds (distance) C4'-P energy: -109.535 bonds (distance) P-C4' energy: -126.953 flat angles C4'-P-C4' energy: -99.408 flat angles P-C4'-P energy: -65.003 tors. eta vs tors. theta energy: 18.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 5 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 122965028 moves confirmed later: 134539771 all moves confirmed: 257504799 percent of confirmed moves: 32.188100 current total energy: -2618.823369 recalc. total energy: -2618.823369 replica 7 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 132275652 moves confirmed later: 146922925 all moves confirmed: 279198577 percent of confirmed moves: 34.899822 current total energy: -2399.534826 recalc. total energy: -2399.534826 replica 4 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 149440030 moves confirmed later: 168581972 all moves confirmed: 318022002 percent of confirmed moves: 39.752750 current total energy: -2255.309778 recalc. total energy: -2255.309778 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 229781421 moves confirmed later: 274809405 all moves confirmed: 504590826 percent of confirmed moves: 63.073853 current total energy: -2076.328892 recalc. total energy: -2076.328892 replica 6 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 152872980 moves confirmed later: 173664692 all moves confirmed: 326537672 percent of confirmed moves: 40.817209 current total energy: -1928.382531 recalc. total energy: -1928.382531 replica 2 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 165667608 moves confirmed later: 190979990 all moves confirmed: 356647598 percent of confirmed moves: 44.580950 current total energy: -1821.479476 recalc. total energy: -1821.479476 replica 1 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 217157302 moves confirmed later: 258419620 all moves confirmed: 475576922 percent of confirmed moves: 59.447115 current total energy: -1479.755134 recalc. total energy: -1479.755134 replica 9 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 162251652 moves confirmed later: 187000423 all moves confirmed: 349252075 percent of confirmed moves: 43.656509 current total energy: -1149.421208 recalc. total energy: -1149.421208 replica 10 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 267077621 moves confirmed later: 323702723 all moves confirmed: 590780344 percent of confirmed moves: 73.847543 current total energy: -1092.992453 recalc. total energy: -1092.992453 replica 3 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 212064033 moves confirmed later: 250992563 all moves confirmed: 463056596 percent of confirmed moves: 57.882075 current total energy: -469.935461 recalc. total energy: -469.935461 out arg RESULTS//1/3_mut-2b2685bd_01 Time of doing 8000000 iterations: 51866.047 seconds